FULL DB

Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )

STK540725
Synonyms: 7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(diphenylmethyl)heptanamide
Smiles: O=C(NC(c1ccccc1)c1ccccc1)CCCCCCN1C(=O)c2c(C1=O)cccc2

STK540726
Synonyms: (3Z)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethylidene]-1,3-dihydro-2H-indol-2-one
Smiles: COc1ccc(c(c1)C(=O)/C=C/1\C(=O)Nc2c1cccc2)OC

STK540729
Synonyms: 3,6-diamino-5-cyano-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: N#Cc1cc2c(nc1N)sc(c2N)C(=O)NC12CC3CC(C2)CC(C1)C3

STK540731
Synonyms: N'-[(E)-(3-fluorophenyl)methylidene]-6-oxo-1,6-dihydropyridazine-3-carbohydrazide
Smiles: Fc1cccc(c1)/C=N/NC(=O)c1ccc(=O)[nH]n1

STK540734
Synonyms: ethyl5-methoxy-3-[(phenylcarbonyl)amino]-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1ccccc1)cc(cc2)OC

STK540739
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-furan-2-ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccco1

STK540743
Synonyms: 3-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)propanoicacid
Smiles: OC(=O)CCN1C(c2ccccc2)C(=C(C1=O)O)C(=O)C

STK840638
Synonyms: ethyl4-hydroxy-2-oxo-4,6-diphenylcyclohexanecarboxylate
Smiles: CCOC(=O)C1C(=O)CC(CC1c1ccccc1)(O)c1ccccc1

STK840640
Synonyms: 7-hydroxy-1,3-dimethyl-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: OC1CN(c2ccccc2)c2n(C1)c1c(n2)n(C)c(=O)n(c1=O)C

STK840642
Synonyms: 7-[(pentafluorobenzyl)oxy]-3-(quinolin-2-yl)-2H-chromen-2-one
Smiles: O=c1oc2cc(OCc3c(F)c(F)c(c(c3F)F)F)ccc2cc1c1ccc2c(n1)cccc2

STK840643
Synonyms: 7-hexyl-1,3-dimethyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(NC)nc2c1c(=O)n(C)c(=O)n2C

STK840644
Synonyms: 2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
Smiles: N#Cc1c(C)cc(nc1SCC(=O)NC(c1ccccc1)C)C

STK540755
Synonyms: N'-[(E)-(3-hydroxyphenyl)methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1cccc(c1)O

STK840647
Synonyms: 7-[(pentafluorobenzyl)oxy]-3-(pyridin-2-yl)-2H-chromen-2-one
Smiles: O=c1oc2cc(OCc3c(F)c(F)c(c(c3F)F)F)ccc2cc1c1ccccn1

STK540760
Synonyms: ethyl1-(4-bromophenyl)-4-ethoxy-1,4,5,6-tetrahydrofuro[3,2-e][1,2,4]diazaphosphinine-3-carboxylate4-oxide
Smiles: CCOC(=O)C1=NN(c2ccc(cc2)Br)C2=C(P1(=O)OCC)CCO2

STK840651
Synonyms: 1-(furan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
Smiles: O=C(NCc1ccco1)NCC(F)(F)F

STK540771
Synonyms: 8,8'-sulfanediylbis[7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione]
Smiles: Fc1ccc(cc1)Cn1c(Sc2nc3c(n2Cc2ccc(cc2)F)c(=O)n(c(=O)n3C)C)nc2c1c(=O)n(c(=O)n2C)C

STK840652
Synonyms: methyl6-bromo-5-[(3-fluorobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: COC(=O)c1c(C)oc2c1cc(OCc1cccc(c1)F)c(c2)Br

STK540777
Synonyms: methyl3-[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c(C1)cccc3)cccc2

STK540778
Synonyms: 2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(1E)-1-phenylethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C(/c1ccccc1)\C

STK540780
Synonyms: 3-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3,5-dihydro-4H-imidazol-4-one
Smiles: Clc1ccc(cc1)N1C(=O)CN=C1Nc1nc(C)cc(n1)C

STK540781
Synonyms: 6-[2-(2,4-dimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1ccc(c(c1)OC)C1=NN2C(C1)c1ccccc1OC2c1ccc(c(c1C(=O)O)OC)OC

STK840654
Synonyms: 7-hexyl-1,3-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(NCC=C)nc2c1c(=O)n(C)c(=O)n2C

STK540783
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-[(E)-(2-methylphenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/c1ccccc1C

STK840656
Synonyms: 2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
Smiles: [O-][N+](=O)c1ccc(cc1)c1nc(NCc2cccnc2)c2c(n1)cccc2

STK540786
Synonyms: 3-{[(E)-phenylmethylidene]amino}-2-propylquinazolin-4(3H)-one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1ccccc1

STK540787
Synonyms: 2-(1,3-benzothiazol-2-yl)-1-(5-ethyl-2-hydroxy-4-methoxyphenyl)ethanone
Smiles: CCc1cc(C(=O)Cc2nc3c(s2)cccc3)c(cc1OC)O

STK540791
Synonyms: tetraethyl1,8-bis(acetylamino)octane-1,1,8,8-tetracarboxylate
Smiles: CCOC(=O)C(C(=O)OCC)(NC(=O)C)CCCCCCC(C(=O)OCC)(C(=O)OCC)NC(=O)C

STK540793
Synonyms: N'-{(E)-[2-(benzyloxy)phenyl]methylidene}-2-cyclopropylquinoline-4-carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)C1CC1)N/N=C/c1ccccc1OCc1ccccc1

STK840659
Synonyms: 2-{3-[(1E)-2-cyano-3-oxo-3-(pyrrolidin-1-yl)prop-1-en-1-yl]-1H-indol-1-yl}-N-(furan-2-ylmethyl)acetamide
Smiles: N#C/C(=C\c1cn(c2c1cccc2)CC(=O)NCc1ccco1)/C(=O)N1CCCC1

STK840660
Synonyms: ethyl5-[(2-chloro-4-fluorobenzyl)oxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccc(cc1Cl)F)cc2)c1ccc(cc1)OC

STK540801
Synonyms: N-(2,6-dimethylphenyl)-7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)heptanamide
Smiles: O=C(Nc1c(C)cccc1C)CCCCCCN1C(=O)c2c(C1=O)cccc2

STK540802
Synonyms: ethyl2-tert-butyl-5-{[(2-methylphenyl)carbonyl]oxy}-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(ccc2oc1C(C)(C)C)OC(=O)c1ccccc1C

STK540808
Synonyms: 2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-methylfuran-2-yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1ccc(o1)C

STK540813
Synonyms: N'-[(E)-(2,4-dimethoxyphenyl)methylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
Smiles: COc1cc(OC)ccc1/C=N/NC(=O)CSc1ccccn1

STK840664
Synonyms: methyl6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate
Smiles: COC(=O)c1c(C)oc2c1cc(OCC(=O)C(C)(C)C)c(c2)Br

STK840668
Synonyms: ethyl6-bromo-5-[(2-chloro-4-fluorobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCc1ccc(cc1Cl)F)c(c2)Br

STK840670
Synonyms: ethyl6-bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(O)c(cc2oc1C(C)(C)C)Br

STK840671
Synonyms: N-cyclohexyl-7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)heptanamide
Smiles: O=C(NC1CCCCC1)CCCCCCN1C(=O)c2c(C1=O)cccc2

STK540837
Synonyms: 4-(4-cyclohexyl-4,4-diphenylbut-2-yn-1-yl)morpholine
Smiles: C1CCC(CC1)C(c1ccccc1)(c1ccccc1)C#CCN1CCOCC1

STK840675
Synonyms: 2-(2-{4-[(2E)-3-(naphthalen-1-yl)prop-2-enoyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=C(N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)/C=C/c1cccc2c1cccc2

STK540841
Synonyms: 2-(3,4-dimethoxyphenyl)-N'-[(3E)-2-oxo-1-{[2-(pyridin-3-yl)piperidin-1-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide
Smiles: COc1cc(ccc1OC)CC(=O)N/N=C/1\c2ccccc2N(C1=O)CN1CCCCC1c1cccnc1

STK840680
Synonyms: 7-[(2,4-difluorobenzyl)oxy]-3-(pyridin-2-yl)-2H-chromen-2-one
Smiles: Fc1ccc(c(c1)F)COc1ccc2c(c1)oc(=O)c(c2)c1ccccn1

STK840681
Synonyms: 4-chloro-6-hydrazinyl-2-(methylsulfanyl)-5-(4-propoxybenzyl)pyrimidine
Smiles: CCCOc1ccc(cc1)Cc1c(Cl)nc(nc1NN)SC

STK840682
Synonyms: 3-methyl-8-[(4-methylbenzyl)sulfanyl]-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(SCc2ccc(cc2)C)nc2c1c(=O)[nH]c(=O)n2C

STK540853
Synonyms: methyl4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate
Smiles: COC(=O)CC(=O)CSc1nc(N)nc(c1C#N)SC

STK540857
Synonyms: 1,6-bis(4-butoxyphenyl)-2,5-bis[(tert-butylamino)methyl]hexane-1,6-dione
Smiles: CCCCOc1ccc(cc1)C(=O)C(CNC(C)(C)C)CCC(C(=O)c1ccc(cc1)OCCCC)CNC(C)(C)C

STK540859
Synonyms: (2Z)-3-(4-chlorophenyl)-2-[(2E)-(3,3,5-trimethylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
Smiles: CC1C/C(=N\N=C\2/SCC(=O)N2c2ccc(cc2)Cl)/CC(C1)(C)C

STK840691
Synonyms: 2-methoxyethyl6-bromo-5-[(2-chloro-6-fluorobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1c(F)cccc1Cl)c(c2)Br

STK840692
Synonyms: ethyl2-(4-methoxyphenyl)-5-{[(2-methylphenyl)carbonyl]oxy}-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1ccccc1C)c1ccc(cc1)OC

STK840693
Synonyms: ethyl5-[(2-bromobenzyl)oxy]-2-tert-butyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3ccccc3Br)ccc2oc1C(C)(C)C

STK540864
Synonyms: ethyl2-(4-methoxyphenyl)-5-{[(4-nitrophenyl)carbonyl]oxy}-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)OC

STK540865
Synonyms: (2E)-4-oxo-4-{[1-(phenylcarbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]amino}but-2-enoicacid
Smiles: OC(=O)/C=C/C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1

STK540867
Synonyms: N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]pyridine-3-carboxamide
Smiles: N#Cc1c(NC(=S)NC(=O)c2cccnc2)sc2c1CCCCCC2

STK540868
Synonyms: 2-methoxyethyl6-bromo-2-methyl-5-[(pentafluorobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1c(F)c(F)c(c(c1F)F)F)c(c2)Br

STK540890
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(5-bromo-2-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccc(cc1/C=N/NC(=O)Cn1nnc(n1)N)Br

STK540892
Synonyms: N'-{(E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene}-2-(morpholin-4-yl)-2-(pyridin-4-yl)acetohydrazide
Smiles: C=CCc1cccc(c1O)/C=N/NC(=O)C(c1ccncc1)N1CCOCC1

STK840701
Synonyms: ethyl6-bromo-2-tert-butyl-5-[(2-fluorobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3ccccc3F)c(cc2oc1C(C)(C)C)Br

STK540894
Synonyms: 6-[9-bromo-2-(4-fluorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(cc1)F)Br

STK540899
Synonyms: 3-amino-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(cc1)CCNC(=O)c1sc2c(c1N)ccc(n2)c1cccc(c1)OC

STK540901
Synonyms: methyl3-{[(2,6-dimethylmorpholin-4-yl)acetyl]amino}-5,6-dimethoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CC(C)OC(C1)C)cc(c(c2)OC)OC

STK540903
Synonyms: (2E)-3-(naphthalen-1-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
Smiles: O=C(N1CCN(CC1)c1ccccc1)/C=C/c1cccc2c1cccc2

STK840710
Synonyms: 1,3-dimethyl-8-(piperidin-1-yl)-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc(n2C(C)C)N1CCCCC1

STK540904
Synonyms: 1-ethyl-6-fluoro-7-(4-heptanoylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCCCCCC(=O)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

STK540906
Synonyms: 2,5-dichloro-4,4-dimethoxy-3-(morpholin-4-yl)-5-(prop-2-en-1-yl)cyclopent-2-en-1-one
Smiles: C=CCC1(Cl)C(=O)C(=C(C1(OC)OC)N1CCOCC1)Cl

STK840712
Synonyms: ethyl5-(2-tert-butoxy-2-oxoethoxy)-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)OC(C)(C)C)cc2)c1ccc(cc1)OC

STK540917
Synonyms: 2-{3-[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile
Smiles: CCN1C(=O)NC(=O)/C(=C/c2cc(n(c2C)c2sc(c(c2C#N)C)C)C)/C1=O

STK540919
Synonyms: 2-tert-butyl-5-[(2-methylprop-2-en-1-yl)oxy]-1-benzofuran-3-carboxylicacid
Smiles: CC(=C)COc1ccc2c(c1)c(C(=O)O)c(o2)C(C)(C)C

STK540920
Synonyms: N-[(prop-2-yn-1-yloxy)methyl]-2-(pyridin-4-ylcarbonyl)hydrazinecarbothioamide
Smiles: C#CCOCNC(=S)NNC(=O)c1ccncc1

STK540926
Synonyms: 3-amino-6-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(cc1)CCNC(=O)c1sc2c(c1N)ccc(n2)c1ccc(c(c1)OC)OC

STK540928
Synonyms: 2-(2-{4-[(4-methoxy-3-nitrophenyl)sulfonyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK840717
Synonyms: N-(4-acetylphenyl)-1-phenylcyclopentanecarboxamide
Smiles: O=C(C1(CCCC1)c1ccccc1)Nc1ccc(cc1)C(=O)C

STK840718
Synonyms: 8-methoxy-2-methyl-3-(morpholin-4-ylmethyl)quinolin-4(1H)-one
Smiles: COc1cccc2c1[nH]c(C)c(c2=O)CN1CCOCC1

STK840724
Synonyms: 2-methoxyethyl6-bromo-5-[(2-chlorobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1ccccc1Cl)c(c2)Br

STK540937
Synonyms: 6-ethyl-2-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Smiles: CCN1CCc2c(C1)sc(c2C(=O)N)NC(=S)NC(=O)/C=C/c1ccco1

STK840727
Synonyms: N-cycloheptyl-6-hydroxy-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
Smiles: O=C(c1c(O)c2cccc3c2n(c1=O)CC3)NC1CCCCCC1

STK840728
Synonyms: 7-ethyl-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1c(SCCN2CCOCC2)nc2c1c(=O)n(c(=O)n2C)C

STK540946
Synonyms: 2'-(2,5-dimethylphenyl)-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1cc(C)ccc1C

STK540950
Synonyms: methyl3-[(thiophen-2-ylcarbonyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1cccs1)cccc2

STK540951
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-naphthalen-1-ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1cccc2c1cccc2

STK540952
Synonyms: 3-{[(E)-(4-hydroxyphenyl)methylidene]amino}-2-(phenoxymethyl)quinazolin-4(3H)-one
Smiles: Oc1ccc(cc1)/C=N/n1c(COc2ccccc2)nc2c(c1=O)cccc2

STK540953
Synonyms: 8-{[2-(dimethylamino)ethyl]amino}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1c(NCCN(C)C)nc2c1c(=O)n(c(=O)n2C)C

STK540954
Synonyms: 3,6-diamino-5-cyano-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
Smiles: N#Cc1cc2c(nc1N)sc(c2N)C(=O)NCCc1ccc(cc1)F

STK540956
Synonyms: 2-methoxy-5-[(tetrahydrofuran-2-ylmethyl)sulfamoyl]benzoicacid
Smiles: COc1ccc(cc1C(=O)O)S(=O)(=O)NCC1CCCO1

STK540966
Synonyms: (2Z,4E)-5-(2-nitrophenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]penta-2,4-dienenitrile
Smiles: N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK540968
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-[(E)-pyridin-2-ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/c1ccccn1

STK840735
Synonyms: N'-[(E)-(4-ethoxy-3-hydroxyphenyl)methylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
Smiles: CCOc1ccc(cc1O)/C=N/NC(=O)CSc1ccccn1

STK540977
Synonyms: (8R,8aR)-6-amino-8-(2,4-difluorophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCCN1CC=C2[C@H](C1)[C@@H](c1ccc(cc1F)F)C(C(=C2C#N)N)(C#N)C#N

STK540978
Synonyms: ethyl5-(2-{2-[(3,4-dimethoxyphenyl)carbonyl]hydrazinyl}-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)NNC(=O)c1ccc(c(c1)OC)OC)cc2)c1ccccc1

STK840740
Synonyms: methylN-{[1-(4-methoxyphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-3-yl]carbonyl}phenylalaninate
Smiles: COC(=O)C(NC(=O)c1cc2C(=O)CCCc2n(c1=O)c1ccc(cc1)OC)Cc1ccccc1

STK840742
Synonyms: 2-(2-methyl-4-oxoquinolin-1(4H)-yl)-N-(2-methylphenyl)acetamide
Smiles: O=C(Cn1c(C)cc(=O)c2c1cccc2)Nc1ccccc1C

STK840743
Synonyms: (2E)-3-(furan-2-yl)-N-{[2-(pyridin-3-ylcarbonyl)hydrazinyl]carbonothioyl}prop-2-enamide
Smiles: S=C(NC(=O)/C=C/c1ccco1)NNC(=O)c1cccnc1

STK540987
Synonyms: 5-(acetyloxy)-6-bromo-2-tert-butyl-1-benzofuran-3-carboxylicacid
Smiles: CC(=O)Oc1cc2c(cc1Br)oc(c2C(=O)O)C(C)(C)C

STK840746
Synonyms: ethyl5-{[(3-nitrophenyl)carbonyl]oxy}-2-phenyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK540992
Synonyms: ethyl5-{[(2-bromophenyl)carbonyl]oxy}-2-tert-butyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(ccc2oc1C(C)(C)C)OC(=O)c1ccccc1Br

STK540993
Synonyms: 5-ethoxy-N,N-bis(2-methylpropyl)-2-phenyl-1-benzofuran-3-carboxamide
Smiles: CCOc1ccc2c(c1)c(C(=O)N(CC(C)C)CC(C)C)c(o2)c1ccccc1

STK540997
Synonyms: 11-(4-butylphenyl)-3-(1-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCCCc1ccc(cc1)n1c2nc3ccccc3nc2c2c1ncn(c2=O)C(c1ccccc1)C

STK541000
Synonyms: 4-[(5E)-4-oxo-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]butanoicacid
Smiles: OC(=O)CCCN1C(=S)S/C(=C/c2ccccn2)/C1=O

STK541006
Synonyms: ethyl3-ethyl-4-{[(4-methoxyphenyl)carbonyl]amino}-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1sc(=S)n(c1NC(=O)c1ccc(cc1)OC)CC

STK541009
Synonyms: ethyl4-[2-(2,6-dimethyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)CC(=O)c1c(C)[nH]c2c1ccc(c2)C

STK840750
Synonyms: 2-(1,3-benzodioxol-5-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=c1c2cccc3c2c(c(=O)n1Cc1ccc2c(c1)OCO2)ccc3

STK840751
Synonyms: propan-2-yl5-[2-(4-chlorophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: CC(OC(=O)c1c(C)oc2c1cc(OCC(=O)c1ccc(cc1)Cl)cc2)C

STK541018
Synonyms: 2-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Smiles: O=C(NC(=S)Nc1sc2c(c1C(=O)N)CCCCCC2)/C=C/c1cccs1

STK541020
Synonyms: 6-{9-bromo-2-[4-(difluoromethoxy)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl}-2,3-dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(cc1)OC(F)F)Br

STK541021
Synonyms: 2-{1-(4-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}-N-(2-iodophenyl)acetamide
Smiles: COc1ccc(cc1OC)CCN1C(=S)N(C(=O)C1CC(=O)Nc1ccccc1I)c1ccc(cc1)Cl

STK541023
Synonyms: 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1-(8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
Smiles: Cc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CN1CCN(CC1)C(=O)c1ccco1

STK541024
Synonyms: benzyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(furan-3-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccoc1)(C#N)C#N

STK840756
Synonyms: ethyl2-methyl-5-{[(3-nitrophenyl)carbonyl]oxy}-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(cc2)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK541025
Synonyms: (8S,8aR,11aS,11bS)-8-acetyl-10-(4-methoxyphenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)C

STK840757
Synonyms: (3E)-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-dihydro-2H-indol-2-one
Smiles: COc1ccc(cc1)C(=O)/C=C\1/C(=O)Nc2c1cccc2

STK840759
Synonyms: (2Z)-3-amino-3-(cyclohexylamino)-2-[(Z)-(3-oxo-1,3-dihydro-2H-indol-2-ylidene)methyl]prop-2-enenitrile
Smiles: N#C/C(=C(\NC1CCCCC1)/N)/C=C/1\Nc2c(C1=O)cccc2

STK840762
Synonyms: 2-methoxyethyl6-bromo-5-[(2-fluorobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1ccccc1F)c(c2)Br

STK840763
Synonyms: 2-(azepan-1-yl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-2-oxoacetohydrazide
Smiles: COc1cccc(c1O)/C=N/NC(=O)C(=O)N1CCCCCC1

STK840765
Synonyms: 2-(azepan-1-yl)-2-oxo-N'-[(E)-pyridin-2-ylmethylidene]acetohydrazide
Smiles: O=C(C(=O)N/N=C/c1ccccn1)N1CCCCCC1

STK541034
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-[(E)-(2-chlorophenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/c1ccccc1Cl

STK541038
Synonyms: N'-[(E)-(4-methoxyphenyl)methylidene]-2-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)acetohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)CN1CCn2c3C1CCCc3c1c2ccc(c1)C

STK541039
Synonyms: 1-(5-methoxy-1H-indol-3-yl)-2-[(3R)-4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanol
Smiles: COc1ccc(cc1)N1CCN(CC1C)CC(c1c[nH]c2c1cc(OC)cc2)O

STK840772
Synonyms: ethyl2-(4-methoxyphenyl)-5-{[3-(trifluoromethyl)benzyl]oxy}-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1cccc(c1)C(F)(F)F)cc2)c1ccc(cc1)OC

STK541051
Synonyms: 2-methyl-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}quinoline-4-carbohydrazide
Smiles: Cc1nc2ccccc2c(c1)C(=O)N/N=C/c1ccc(cc1)C(C)C

STK541052
Synonyms: (6aR,6bS,9aR,10S)-10-[(3,4-dimethoxyphenyl)carbonyl]-8-(4-fluorophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1OC)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)F)C=Cc1c2cccc1

STK541058
Synonyms: 1,3-dimethyl-8-[(4-methylbenzyl)sulfanyl]-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(SCc2ccc(cc2)C)nc2c1c(=O)n(c(=O)n2C)C

STK840775
Synonyms: ethyl6-bromo-2-methyl-5-[2-oxo-2-(propan-2-yloxy)ethoxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCC(=O)OC(C)C)c(c2)Br

STK840777
Synonyms: 2-amino-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
Smiles: Nc1nc(c(s1)C(=O)Nc1nccs1)C

STK541066
Synonyms: 4-acetyl-5-(2-fluorophenyl)-3-hydroxy-1-phenyl-1,5-dihydro-2H-pyrrol-2-one
Smiles: O=C1N(c2ccccc2)C(C(=C1O)C(=O)C)c1ccccc1F

STK541068
Synonyms: ethyl2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate
Smiles: CCOC(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)F)c1ccccc1

STK840779
Synonyms: 8-(cyclohexylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(NC2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C)COc1ccccc1C

STK840781
Synonyms: ethyl5-{[(pentafluorophenoxy)acetyl]oxy}-2-phenyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)COc1c(F)c(F)c(c(c1F)F)F)c1ccccc1

STK541073
Synonyms: (2Z)-3-amino-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(Z)-(3-oxo-1,3-dihydro-2H-indol-2-ylidene)methyl]prop-2-enenitrile
Smiles: N#C/C(=C(\NCCc1ccc(c(c1)OC)OC)/N)/C=C/1\Nc2c(C1=O)cccc2

STK541081
Synonyms: bis(3,3,5-trimethyl-6-oxo-2-phenyl-3,6-dihydro-2H-pyran-4-yl)butanedioate
Smiles: O=C(OC1=C(C)C(=O)OC(C1(C)C)c1ccccc1)CCC(=O)OC1=C(C)C(=O)OC(C1(C)C)c1ccccc1

STK541092
Synonyms: (3Z)-3-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-dihydro-2H-indol-2-one
Smiles: COc1cccc(c1)C(=O)/C=C/1\C(=O)Nc2c1cccc2

STK541096
Synonyms: N-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)-N'-(propan-2-yl)ethanediamide
Smiles: CC(NC(=O)C(=O)Nc1c(=O)[nH]c2c(c1O)cccc2)C

STK541100
Synonyms: 1-[2-(2,6-dimethyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)CC(=O)c1c(C)[nH]c2c1ccc(c2)C

STK840794
Synonyms: methyl2-methyl-5-{[(3-nitrophenyl)carbonyl]oxy}-1-benzofuran-3-carboxylate
Smiles: COC(=O)c1c(C)oc2c1cc(cc2)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK840795
Synonyms: ethyl5-{2-[(2E)-2-(2-methoxybenzylidene)hydrazinyl]-2-oxoethoxy}-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCC(=O)N/N=C/c1ccccc1OC)cc2

STK541105
Synonyms: (3Z)-3-[2-oxo-2-(4-propylphenyl)ethylidene]-1,3-dihydro-2H-indol-2-one
Smiles: CCCc1ccc(cc1)C(=O)/C=C/1\C(=O)Nc2c1cccc2

STK840796
Synonyms: propan-2-yl4-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate
Smiles: N#Cc1c(SCC(=O)CC(=O)OC(C)C)nc2c(c1c1ccccc1)CCC2

STK541108
Synonyms: N'-[(E)-thiophen-2-ylmethylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1cccs1

STK541109
Synonyms: [(7-heptyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]aceticacid
Smiles: CCCCCCCn1c(SCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C

STK840800
Synonyms: 3-methyl-7-(2-methylpropyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCC1)C

STK840801
Synonyms: 1-(6-tert-butyl-9-methyl-9H-carbazol-3-yl)-2,2,2-trifluoroethanone
Smiles: O=C(C(F)(F)F)c1ccc2c(c1)c1cc(ccc1n2C)C(C)(C)C

STK541119
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]acetohydrazide
Smiles: COc1cc(cc(c1O)/C=N/NC(=O)Cn1nnnc1N)[N+](=O)[O-]

STK541121
Synonyms: (3-aminopropyl)(2-phenylethyl)phosphinicacid
Smiles: NCCCP(=O)(CCc1ccccc1)O

STK840807
Synonyms: ethyl6-bromo-5-[(3-fluorobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCc1cccc(c1)F)c(c2)Br

STK541132
Synonyms: ethyl5-fluoro-3-[(thiophen-2-ylcarbonyl)amino]-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1cccs1)cc(cc2)F

STK541133
Synonyms: 1-(2,6-dimethyl-1H-indol-3-yl)-2-(thiomorpholin-4-yl)ethanone
Smiles: Cc1ccc2c(c1)[nH]c(c2C(=O)CN1CCSCC1)C

STK541136
Synonyms: ethyl6-bromo-2-tert-butyl-5-[(2-methylbenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3ccccc3C)c(cc2oc1C(C)(C)C)Br

STK541137
Synonyms: methyl{[3-(4-methoxyphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CC(OC3)C(C)C

STK541139
Synonyms: 3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
Smiles: N#Cc1c(C)n(c2c1ncn(c2=O)CCCN(C)C)c1ccccc1

STK541141
Synonyms: N-(2-hydroxyethyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
Smiles: OCCNC(=O)c1ccc(=O)[nH]n1

STK541143
Synonyms: 3-{[(E)-(2,4-dihydroxyphenyl)methylidene]amino}-2-(phenoxymethyl)quinazolin-4(3H)-one
Smiles: Oc1ccc(c(c1)O)/C=N/n1c(COc2ccccc2)nc2c(c1=O)cccc2

STK840815
Synonyms: (2E)-2-(pyridin-3-ylmethylidene)-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)hydrazinecarboxamide
Smiles: O=C(NC12CC3CC(C2)CC(C1)C3)N/N=C/c1cccnc1

STK541156
Synonyms: 1,3-dimethyl-7-(3-methylbutyl)-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)C

STK840817
Synonyms: 7-hexyl-1,3-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCC1

STK541170
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-[(E)-(5-nitrothiophen-2-yl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/c1ccc(s1)[N+](=O)[O-]

STK541171
Synonyms: 4-fluoro-N-{3-[(4-methylphenyl)sulfonyl]-1-(2-phenylethyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl}benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccc(cc2)F)n(c2c1nc1ccccc1n2)CCc1ccccc1

STK840820
Synonyms: 8H-naphtho[2,3-a]phenothiazine-8,13(14H)-dione
Smiles: O=c1c2c3[nH]c4ccccc4sc3ccc2c(=O)c2c1cccc2

STK840821
Synonyms: N,N-dimethyl-6-(pyridin-3-yl)-1,3,5-triazine-2,4-diamine
Smiles: Nc1nc(nc(n1)N(C)C)c1cccnc1

STK541178
Synonyms: 2-[4-(4-bromophenyl)-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl]phenol
Smiles: Brc1ccc(cc1)C1CC(=Nc2n1c1ccccc1n2)c1ccccc1O

STK840823
Synonyms: N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1cc(Br)ccc1O

STK840824
Synonyms: 3-(4-{[5-(4-chlorophenyl)furan-2-yl]carbonothioyl}piperazin-1-yl)propanenitrile
Smiles: N#CCCN1CCN(CC1)C(=S)c1ccc(o1)c1ccc(cc1)Cl

STK840825
Synonyms: 7-benzyl-3-methyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1[nH]c(=O)n(c2c1n(Cc1ccccc1)c(n2)N1CCCC1)C

STK541189
Synonyms: N-(furan-2-ylmethyl)-N-(4-methylpentyl)-4,6-di(morpholin-4-yl)-1,3,5-triazin-2-amine
Smiles: CC(CCCN(c1nc(nc(n1)N1CCOCC1)N1CCOCC1)Cc1ccco1)C

STK541190
Synonyms: N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-[4-(1H-tetrazol-1-yl)phenoxy]acetohydrazide
Smiles: O=C(COc1ccc(cc1)n1cnnn1)N/N=C/c1cc(Br)cc(c1O)Br

STK840829
Synonyms: N-(4-methoxyphenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1c(C)nc2n1cccc2

STK541206
Synonyms: ethyl6-methoxy-4-[(4-methoxyphenyl)amino]quinoline-3-carboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1)OC)cc(cc2)OC

STK840835
Synonyms: 2-[7-oxo-7-(3-phenylpyrrolidin-1-yl)heptyl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C(N1CCC(C1)c1ccccc1)CCCCCCN1C(=O)c2c(C1=O)cccc2

STK840836
Synonyms: 7-(4-fluorobenzyl)-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1ccc(cc1)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)[N+](=O)[O-]

STK541216
Synonyms: N'-[(E)-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1cn(nc1C)C

STK541217
Synonyms: 5-(3,4-dimethoxyphenyl)-2-{[(4-ethylphenyl)amino]methylidene}cyclohexane-1,3-dione
Smiles: CCc1ccc(cc1)N/C=C/1\C(=O)CC(CC1=O)c1ccc(c(c1)OC)OC

STK840839
Synonyms: ethyl2-tert-butyl-5-{[(3,4-dimethoxyphenyl)carbonyl]oxy}-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(ccc2oc1C(C)(C)C)OC(=O)c1ccc(c(c1)OC)OC

STK541225
Synonyms: 2-cyano-2-[3-(3,4-dihydroisoquinolin-2(1H)-yl)quinoxalin-2-yl]-N-(prop-2-en-1-yl)acetamide
Smiles: C=CCNC(=O)C(c1nc2ccccc2nc1N1CCc2c(C1)cccc2)C#N

STK541227
Synonyms: 8-{[2-(dimethylamino)ethyl]amino}-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN(CCNc1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C)C

STK840842
Synonyms: 2-methyl-6-phenyl-4H-thieno[2,3-d][1,3]oxazin-4-one
Smiles: Cc1oc(=O)c2c(n1)sc(c2)c1ccccc1

STK541229
Synonyms: 6-amino-1-(3-chlorophenyl)-4-(3,4-difluorophenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)F)F)c(C)nn2c1cccc(c1)Cl

STK541231
Synonyms: (5E)-5-(2-butoxybenzylidene)-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one
Smiles: CCCCOc1ccccc1/C=C\1/SC(=NC1=O)N1CCCCC1

STK541233
Synonyms: 6-[(2E)-3,4-dihydroquinolin-2(1H)-ylideneamino]hexanoicacid
Smiles: OC(=O)CCCCC/N=C/1\CCc2c(N1)cccc2

STK541234
Synonyms: [1-amino-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-2-yl](piperidin-1-yl)methanone
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1)N1CCCCC1

STK541235
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1cc(Br)c(c(c1)Br)O

STK541236
Synonyms: 3-({[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylicacid
Smiles: O=C(Nc1c([nH]c2c1cc(C)cc2)C(=O)O)CN1CCN(CC1)c1cccc(c1C)C

STK541239
Synonyms: 5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8(9H)-one
Smiles: O=c1[nH]cnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1

STK840849
Synonyms: 2-(ethylsulfanyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Smiles: CCSc1nc2CCCc2cc1C#N

STK840850
Synonyms: 4,6-dimethyl-3-phenyl-1H-pyrazolo[3,4-b]pyridine
Smiles: Cc1cc(C)c2c(n1)[nH]nc2c1ccccc1

STK541251
Synonyms: N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-amine
Smiles: Clc1ccc(cc1C(F)(F)F)Nc1nc2c(o1)cccc2

STK541252
Synonyms: ethyl5-[(2,5-dimethylbenzyl)oxy]-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(OCc1cc(C)ccc1C)cc2)C

STK541254
Synonyms: 1-ethyl-6-fluoro-4-oxo-7-(4-propanoylpiperazin-1-yl)-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=O)CC)c(c2)F

STK541257
Synonyms: N-(2-hydroxyethyl)-1-phenylcyclopentanecarboxamide
Smiles: OCCNC(=O)C1(CCCC1)c1ccccc1

STK840852
Synonyms: ethyl2-tert-butyl-5-[(2,4-dichlorobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3ccc(cc3Cl)Cl)ccc2oc1C(C)(C)C

STK840857
Synonyms: ethyl5-[(furan-2-ylcarbonyl)oxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1ccco1)c1ccc(cc1)OC

STK541272
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(1Z)-1-(4-bromophenyl)ethylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C(\c1ccc(cc1)Br)/C

STK541273
Synonyms: methyl[2-bromo-1-hydroxy-1-(4-nitrophenyl)ethyl]prop-1-yn-1-ylphosphinate
Smiles: BrCC(P(=O)(C#CC)OC)(c1ccc(cc1)[N+](=O)[O-])O

STK541277
Synonyms: ethyl3-{[(4-fluorophenyl)sulfonyl]amino}-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NS(=O)(=O)c1ccc(cc1)F)cc(cc2)OC

STK840858
Synonyms: 2-methoxyethyl6-bromo-5-[(2-chloro-4-fluorobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1ccc(cc1Cl)F)c(c2)Br

STK541280
Synonyms: N,N-dimethyl-6-(pyridin-4-yl)-1,3,5-triazine-2,4-diamine
Smiles: Nc1nc(nc(n1)N(C)C)c1ccncc1

STK541281
Synonyms: 8-{[2-(dimethylamino)ethyl]amino}-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN(CCNc1nc2c(n1Cc1cccc(c1)C)c(=O)[nH]c(=O)n2C)C

STK840860
Synonyms: ethyl2-methyl-5-{[(pentafluorophenoxy)acetyl]oxy}-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(cc2)OC(=O)COc1c(F)c(F)c(c(c1F)F)F

STK541290
Synonyms: N-(4-bromophenyl)-2-(2-methyl-4-oxoquinolin-1(4H)-yl)acetamide
Smiles: O=C(Cn1c(C)cc(=O)c2c1cccc2)Nc1ccc(cc1)Br

STK541291
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-{2-[(3-bromobenzyl)oxy]benzylidene}acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccccc1OCc1cccc(c1)Br

STK541293
Synonyms: 2-[(3-methylphenyl)(phenyl)methylidene]-1H-indene-1,3(2H)-dione
Smiles: Cc1cccc(c1)/C(=C/1\C(=O)c2c(C1=O)cccc2)/c1ccccc1

STK840863
Synonyms: ethyl5-[(3-nitrobenzyl)oxy]-2-phenyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1cccc(c1)[N+](=O)[O-])cc2)c1ccccc1

STK840865
Synonyms: 3-(3,4-dimethoxyphenyl)-1-ethyl-6-methoxy-1H-benzo[de]cinnoline
Smiles: COc1cc(ccc1OC)c1nn(CC)c2c3c1ccc(c3ccc2)OC

STK541299
Synonyms: N,N-diethyl-N'-[(2E)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-ylidene]ethane-1,2-diamine
Smiles: CCN(CC/N=C/1\CCCc2c(N1)cccc2)CC

STK541304
Synonyms: 4-[3-acetyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoicacid
Smiles: OC(=O)CCCN1C(c2ccc(cc2)F)C(=C(C1=O)O)C(=O)C

STK840867
Synonyms: 2-methoxyethyl6-bromo-2-methyl-5-(2-oxo-2-phenylethoxy)-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCC(=O)c1ccccc1)c(c2)Br

STK541306
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1,6-dihydropyridazine-3-carboxamide
Smiles: COc1cc(CCNC(=O)c2ccc(=O)[nH]n2)ccc1OC

STK541307
Synonyms: 2-{[3-(4-methoxyphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoicacid
Smiles: COc1ccc(cc1)n1c(SC(C(=O)O)C)nc2c(c1=O)c1CC(OCc1s2)C(C)C

STK840870
Synonyms: 8-(butan-2-ylamino)-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCC(Nc1nc2c(n1Cc1ccc(cc1)F)c(=O)n(c(=O)n2C)C)C

STK541317
Synonyms: 3,6-diamino-5-cyano-N-(2,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cc(OC)ccc1NC(=O)c1sc2c(c1N)cc(c(n2)N)C#N

STK541318
Synonyms: methyl5-[1-(diethylamino)ethyl]furan-2-carboxylate
Smiles: CCN(C(c1ccc(o1)C(=O)OC)C)CC

STK541319
Synonyms: 3-amino-5-[2-(diethylamino)ethyl]-5H-pyrido[4,3-b]indole-4-carbonitrile
Smiles: CCN(CCn1c2ccccc2c2c1c(C#N)c(N)nc2)CC

STK541320
Synonyms: 2,2-dimethyl-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
Smiles: O=c1[nH]cnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCC1

STK541330
Synonyms: 6-oxo-N-(2-phenylethyl)-1,6-dihydropyridazine-3-carboxamide
Smiles: O=C(c1ccc(=O)[nH]n1)NCCc1ccccc1

STK840875
Synonyms: 1,3-dimethyl-7-(3-methylbutyl)-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCNc1nc2c(n1CCC(C)C)c(=O)n(c(=O)n2C)C

STK541332
Synonyms: 2-cyclopropyl-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}quinoline-4-carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)C1CC1)N/N=C/c1ccc(cc1)C(C)C

STK840876
Synonyms: ethyl8-methyl-4-[(3-nitrophenyl)amino]quinoline-3-carboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1cccc(c1)[N+](=O)[O-])cccc2C

STK840877
Synonyms: 1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indole-3-carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)CC(=O)N1CCCC1

STK541345
Synonyms: ethyl3-[(3-cyclopentylpropanoyl)amino]-5-fluoro-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCC1CCCC1)cc(cc2)F

STK541349
Synonyms: ethyl4-[(4E)-4-benzylidene-5-oxo-2-phenyl-4,5-dihydro-1H-imidazol-1-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=N/C(=C/c2ccccc2)/C1=O)c1ccccc1

STK541350
Synonyms: (1Z)-1-(3,4-dimethoxyphenyl)-N-[(9-methyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methoxy]ethanimine
Smiles: COc1cc(ccc1OC)/C(=N\OCc1nn2c(n1)c1c(nc2)sc2c1CCN(C2)C)/C

STK541364
Synonyms: methyl4-[(Z)-(2-{[4-(4-methylbenzyl)piperazin-1-yl]acetyl}hydrazinylidene)methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N\NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C

STK541365
Synonyms: 2-(2,4-dichlorophenyl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine
Smiles: Clc1ccc(c(c1)Cl)C1=NC(N=C(O1)N1CCCCC1)(C(F)(F)F)C(F)(F)F

STK541366
Synonyms: 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl2-methoxybenzoate
Smiles: COc1cc(/C=C/C(=O)c2cc(F)ccc2OC(=O)c2ccccc2OC)ccc1OC

STK541368
Synonyms: 6-{(2E)-2-[2-(benzyloxy)benzylidene]hydrazinyl}[1,2,4]triazolo[4,3-b]pyridazine
Smiles: c1ccc(cc1)COc1ccccc1/C=N/Nc1ccc2n(n1)cnn2

STK541373
Synonyms: 4-[(1,1,2,3,3,3-hexafluoropropyl)sulfanyl]benzene-1,3-diol
Smiles: Oc1ccc(c(c1)O)SC(C(C(F)(F)F)F)(F)F

STK541374
Synonyms: (2E)-N-benzyl-2-(2-bromobenzylidene)hydrazinecarbothioamide
Smiles: S=C(NCc1ccccc1)N/N=C/c1ccccc1Br

STK840891
Synonyms: 4-fluoro-2-[(2E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl4-nitrobenzoate
Smiles: COc1ccccc1/C=C/C(=O)c1cc(F)ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK541376
Synonyms: 2-[(E)-(3,5-dimethyl-1H-pyrazol-4-yl)diazenyl]benzoicacid
Smiles: OC(=O)c1ccccc1/N=N/c1c(C)n[nH]c1C

STK541379
Synonyms: 3-(4-methoxyphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: COc1ccc(cc1)n1c(SCC(=O)N2CCCCC2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK541382
Synonyms: N-benzyl-2-{[4-oxo-3-(2-phenylethyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: O=C(NCc1ccccc1)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)C(C)C

STK541390
Synonyms: methyl5-cyano-6-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1ccccc1CC

STK541391
Synonyms: (3aR,6aS)-3-(4-bromophenyl)-5-(3,5-dichlorophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Brc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cc(Cl)cc(c1)Cl

STK541392
Synonyms: (3aR,6aS)-5-(2-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1Cl

STK541395
Synonyms: methyl2-(acetylamino)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,3,3-trifluoroalaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1c(C)n(n(c1=O)c1ccccc1)C)NC(=O)C

STK541396
Synonyms: 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9-benzyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: c1ccc(cc1)CN1CCc2c(C1)sc1c2c2nc(nn2cn1)CSc1nc2c(o1)cccc2

STK541399
Synonyms: 5-cyano-N-(2-methoxyphenyl)-2-methyl-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1OC)C

STK541401
Synonyms: ethyl5-(acetyloxy)-6-bromo-1-methyl-2-[(pyridin-4-ylamino)methyl]-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OC(=O)C)c(cc2n(c1CNc1ccncc1)C)Br

STK840898
Synonyms: 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanehydrazide
Smiles: NNC(=O)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK541403
Synonyms: prop-2-en-1-yl5-cyano-6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1c(C)cccc1C

STK541405
Synonyms: 3-(2-methoxyethyl)-11-phenyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccccc1

STK541406
Synonyms: 2,2'-[(3-nitro-4-propoxybenzyl)imino]diethanol
Smiles: CCCOc1ccc(cc1[N+](=O)[O-])CN(CCO)CCO

STK840899
Synonyms: diethyl4-{[4-(morpholin-4-yl)phenyl]amino}quinoline-3,6-dicarboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1)N1CCOCC1)cc(cc2)C(=O)OCC

STK541409
Synonyms: 2-[(5Z)-5-(1H-indol-3-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-methylbutanoicacid
Smiles: CC(C(N1C(=S)S/C(=C\c2c[nH]c3c2cccc3)/C1=O)C(=O)O)C

STK541413
Synonyms: ethyl6-bromo-5-[(2-bromobenzyl)oxy]-2-phenyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccccc1Br)c(c2)Br)c1ccccc1

STK840902
Synonyms: (2E)-3-(4-fluorophenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
Smiles: O=C(Nc1scc(n1)c1cccc(c1)[N+](=O)[O-])/C=C/c1ccc(cc1)F

STK840905
Synonyms: 2-[(2E)-3-(2-chlorophenyl)prop-2-enoyl]-4-fluorophenyl2-methoxybenzoate
Smiles: COc1ccccc1C(=O)Oc1ccc(cc1C(=O)/C=C/c1ccccc1Cl)F

STK541443
Synonyms: 2-methoxyethyl6-bromo-5-(2-ethoxy-2-oxo-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OC(c1ccccc1)C(=O)OCC)c(c2)Br

STK840906
Synonyms: 4-fluoro-2-[(2E)-3-(2-fluorophenyl)prop-2-enoyl]phenyl2-bromobenzoate
Smiles: Fc1ccc(c(c1)C(=O)/C=C/c1ccccc1F)OC(=O)c1ccccc1Br

STK541448
Synonyms: 5-cyano-N-(2-methoxyphenyl)-2-methyl-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)C)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1OC)C

STK541451
Synonyms: 3-(4-ethoxyphenyl)-11-(2-methoxyethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COCCn1c2ncn(c(=O)c2c2c1nc1ccccc1n2)c1ccc(cc1)OCC

STK541453
Synonyms: 2,2'-butane-1,4-diylbis(6-phenyl-1,3-benzothiazole)
Smiles: c1ccc(cc1)c1ccc2c(c1)sc(n2)CCCCc1nc2c(s1)cc(cc2)c1ccccc1

STK541454
Synonyms: {[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}aceticacid
Smiles: COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCC(=O)O

STK541455
Synonyms: 2-amino-4-(dimethylamino)-6-methylpyridine-3-carbonitrile
Smiles: N#Cc1c(N)nc(cc1N(C)C)C

STK840910
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide
Smiles: COc1cc(CCNC(=O)CCn2c(=O)c3cccc4c3c(c2=O)ccc4)ccc1OC

STK840912
Synonyms: 3,6-diamino-5-cyano-4-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(cc1OC)c1c(C#N)c(N)nc2c1c(N)c(s2)C(=O)N

STK840915
Synonyms: 2-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]-5-methoxyphenyl4-nitrobenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)/C=C/c1ccc(cc1)F

STK840916
Synonyms: 2-(methylsulfanyl)-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)C(C)C

STK541472
Synonyms: 1-benzyl-2'-(2,4-dimethoxyphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cc(OC)ccc1C1=NN2C(C1)c1ccccc1OC12CCN(CC1)Cc1ccccc1

STK541473
Synonyms: (6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-10-(1H-benzotriazol-1-ylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@H]1[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2

STK541475
Synonyms: N',N''-(1E,2E)-propane-1,2-diylidenebis(1-benzofuran-2-carbohydrazide)
Smiles: C/C(=N\NC(=O)c1oc2c(c1)cccc2)/C=N/NC(=O)c1oc2c(c1)cccc2

STK541477
Synonyms: ethyl5-(2-{2-[(3-methoxyphenyl)carbonyl]hydrazinyl}-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCC(=O)NNC(=O)c1cccc(c1)OC)cc2

STK541480
Synonyms: 2-butyl-N'-(chloroacetyl)-2-hydroxy-N'-phenylhexanehydrazide
Smiles: CCCCC(C(=O)NN(c1ccccc1)C(=O)CCl)(CCCC)O

STK840920
Synonyms: 2-{[3-cyano-4-(4-ethylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC(=O)CC1c1ccc(cc1)CC

STK541485
Synonyms: (2E)-3-[3-(1,3-benzodioxol-5-ylsulfamoyl)-4-methoxyphenyl]prop-2-enoicacid
Smiles: COc1ccc(cc1S(=O)(=O)Nc1ccc2c(c1)OCO2)/C=C/C(=O)O

STK840922
Synonyms: propyl{[6-amino-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl}acetate
Smiles: CCCOC(=O)CSc1nc(N)c(c(c1C#N)c1ccc(cc1)C)C#N

STK541487
Synonyms: 6-methyl-2-[(pyridin-3-ylmethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
Smiles: N#Cc1c(SCc2cccnc2)nc(cc1C(F)(F)F)C

STK840926
Synonyms: (2E)-3-(4-fluorophenyl)-N-[(furan-2-ylmethyl)carbamothioyl]prop-2-enamide
Smiles: S=C(NC(=O)/C=C/c1ccc(cc1)F)NCc1ccco1

STK541498
Synonyms: 6-{(2E)-2-[4-(pentyloxy)benzylidene]hydrazinyl}[1,2,4]triazolo[4,3-b]pyridazine
Smiles: CCCCCOc1ccc(cc1)/C=N/Nc1ccc2n(n1)cnn2

STK541499
Synonyms: (3aR,6aS)-3-(3,4-dimethoxyphenyl)-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1

STK840927
Synonyms: methyl(2E)-2-[4-(acetyloxy)benzylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1ccc(cc1)OC(=O)C)/s2

STK840930
Synonyms: prop-2-en-1-yl5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)O)C#N)SCC(=O)c1ccccc1

STK541507
Synonyms: N-benzyl-2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]acetamide
Smiles: N#CC(c1nc2ccccc2nc1N(CC)CC)C(=O)NCc1ccccc1

STK541508
Synonyms: 2-(4-butoxy-3-nitrophenyl)imidazo[1,2-a]pyridine
Smiles: CCCCOc1ccc(cc1[N+](=O)[O-])c1nc2n(c1)cccc2

STK541511
Synonyms: 2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C/C=C/c1ccccc1

STK541512
Synonyms: 2-methyl-5-{4-[(3-methylphenyl)amino]phthalazin-1-yl}-N-(pyridin-3-ylmethyl)benzenesulfonamide
Smiles: Cc1cccc(c1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCc1cccnc1)C

STK840933
Synonyms: 2-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenylfuran-2-carboxylate
Smiles: O=C(c1ccccc1)/C=C/c1ccccc1OC(=O)c1ccco1

STK541522
Synonyms: ethyl6,8-dioxo-7-(2,4,6-trimethylphenyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Smiles: CCOC(=O)C1=NNC2(C1)CC(=O)N(C2=O)c1c(C)cc(cc1C)C

STK541524
Synonyms: 5-[(2-chlorophenyl)amino]-2-ethyl-5-oxopentanoicacid
Smiles: CCC(C(=O)O)CCC(=O)Nc1ccccc1Cl

STK840936
Synonyms: 4-bromo-2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenylbenzoate
Smiles: COc1cc(/C=C/C(=O)c2cc(Br)ccc2OC(=O)c2ccccc2)ccc1OC

STK541532
Synonyms: (2-{2-[({2-methyl-3-[(propan-2-yloxy)carbonyl]-1-benzofuran-5-yl}oxy)acetyl]hydrazinyl}-2-oxoethoxy)aceticacid
Smiles: O=C(COc1ccc2c(c1)c(C(=O)OC(C)C)c(o2)C)NNC(=O)COCC(=O)O

STK541538
Synonyms: methyl6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C(C)C)C#N)SCC(=O)NCc1ccccc1

STK840939
Synonyms: N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
Smiles: c1ccc(cc1)N1CCN(CC1)c1nc(NCc2ccco2)c2c(n1)cccc2

STK541549
Synonyms: 4-bromo-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl3-nitrobenzoate
Smiles: Brc1ccc(c(c1)C(=O)/C=C/c1cccs1)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK840941
Synonyms: 3-amino-N-benzyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CCCC1=O)NCc1ccccc1

STK840942
Synonyms: 2-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Smiles: CCSc1nc2c(s1)cc(cc2)N1C(=O)C2C(C1=O)C1CC2C=C1

STK840943
Synonyms: 5-methoxy-2-[(2E)-3-(4-methylphenyl)prop-2-enoyl]phenyl4-nitrobenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)/C=C/c1ccc(cc1)C

STK541561
Synonyms: 2-{[3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Oc2ccccc2)NC2=C(C1c1cccc(c1Cl)Cl)C(=O)CCC2

STK840945
Synonyms: N-(2,5-dimethylphenyl)-4-(morpholin-4-yl)quinazolin-2-amine
Smiles: Cc1ccc(c(c1)Nc1nc(N2CCOCC2)c2c(n1)cccc2)C

STK541564
Synonyms: [4-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl](furan-2-yl)methanone
Smiles: Clc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)C(=O)c1ccco1

STK840948
Synonyms: 4-chloro-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl4-nitrobenzoate
Smiles: Clc1ccc(c(c1)C(=O)/C=C/c1cccs1)OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK840950
Synonyms: N-(3-acetylphenyl)-2-{[3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)C(=O)C)NC(=O)CC1c1ccccc1OC

STK541571
Synonyms: (3aR,6aS)-5-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)Cl

STK541572
Synonyms: ethyl5-{[2-(4-ethoxy-2,3,5,6-tetrafluorophenoxy)propanoyl]oxy}-2-phenyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)C(Oc1c(F)c(F)c(c(c1F)F)OCC)C)c1ccccc1

STK541574
Synonyms: 6-{[(5-bromo-2-hydroxyphenyl)carbonyl]amino}hexanoicacid
Smiles: Oc1ccc(cc1C(=O)NCCCCCC(=O)O)Br

STK541578
Synonyms: 2-(morpholin-4-yl)-6-(2-phenylethyl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine
Smiles: FC(C1(N=C(CCc2ccccc2)OC(=N1)N1CCOCC1)C(F)(F)F)(F)F

STK840956
Synonyms: N-(4-chloro-2-fluorophenyl)-4-phenylpiperazine-1-carbothioamide
Smiles: Clc1ccc(c(c1)F)NC(=S)N1CCN(CC1)c1ccccc1

STK541587
Synonyms: 2-{[3-(1H-imidazol-1-yl)propyl]amino}-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: C=CCN1C(=S)S/C(=C\c2c(NCCCn3ccnc3)nc3n(c2=O)cccc3)/C1=O

STK541593
Synonyms: ethyl5-chloro-3-[(propan-2-ylcarbamoyl)amino]-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)NC(C)C)cc(cc2)Cl

STK541598
Synonyms: 3-(2,4-dichlorophenyl)-6-iodo-2-[(E)-2-(pyridin-3-yl)ethenyl]quinazolin-4(3H)-one
Smiles: Clc1ccc(c(c1)Cl)n1c(/C=C/c2cccnc2)nc2c(c1=O)cc(cc2)I

STK840963
Synonyms: 5-(3,4-dimethoxyphenyl)-2-phenyl-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
Smiles: COc1cc(ccc1OC)C1CC(=O)n2c(S1)nc(n2)c1ccccc1

STK541605
Synonyms: 9'-bromo-2,2-dimethyl-2'-(thiophen-2-yl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCOC(C1)(C)C)c1cccs1

STK840964
Synonyms: (5Z)-3-(4-ethoxyphenyl)-5-(4-fluorobenzylidene)-1,3-thiazolidine-2,4-dione
Smiles: CCOc1ccc(cc1)N1C(=O)S/C(=C\c2ccc(cc2)F)/C1=O

STK541609
Synonyms: 2-(4-chlorophenyl)-4-(2,3-dichlorophenyl)-5-phenyl-1H-imidazole
Smiles: Clc1ccc(cc1)c1[nH]c(c(n1)c1cccc(c1Cl)Cl)c1ccccc1

STK840967
Synonyms: 2-methoxyethyl6-bromo-2-methyl-5-[(3-nitrobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1cccc(c1)[N+](=O)[O-])c(c2)Br

STK541624
Synonyms: 5-oxo-5-[3-phenyl-5-(quinoxalin-6-yl)-4,5-dihydro-1H-pyrazol-1-yl]pentanoicacid
Smiles: OC(=O)CCCC(=O)N1N=C(CC1c1ccc2c(c1)nccn2)c1ccccc1

STK541627
Synonyms: 1-(4-ethoxybenzyl)-3-[(4-ethoxyphenyl)sulfonyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCOc1ccc(cc1)CN1C(=O)CC(=O)N(C1=O)S(=O)(=O)c1ccc(cc1)OCC

STK541634
Synonyms: ethyl5-fluoro-3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=S)NC)cc(cc2)F

STK840969
Synonyms: prop-2-en-1-yl4-(4-chlorophenyl)-5-cyano-2-methyl-6-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1nccs1

STK840975
Synonyms: N~4~-benzyl-N~2~-(4-fluorophenyl)quinazoline-2,4-diamine
Smiles: Fc1ccc(cc1)Nc1nc(NCc2ccccc2)c2c(n1)cccc2

STK541655
Synonyms: 3-(4-ethoxyphenyl)-11-(2-methoxyethyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COCCn1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)c1ccc(cc1)OCC

STK541658
Synonyms: prop-2-en-1-yl4-(4-chlorophenyl)-5-cyano-6-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccccc1CC

STK541659
Synonyms: 2'-(1,3-benzodioxol-5-yl)-7'-methoxy-1-(propan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)C(C)C)N1C2CC(=N1)c1ccc2c(c1)OCO2

STK840977
Synonyms: (3,6-dichloro-1-benzothiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
Smiles: Clc1ccc2c(c1)sc(c2Cl)C(=O)n1nc(cc1C)C

STK840979
Synonyms: 5-(4-chlorophenyl)-3-(4-methylphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazole
Smiles: Cc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)Cl)S(=O)(=O)C

STK541663
Synonyms: dipropan-2-yl[(2,5-dimethoxyphenyl)(hydroxy)methyl]phosphonate
Smiles: COc1ccc(cc1C(P(=O)(OC(C)C)OC(C)C)O)OC

STK840980
Synonyms: N-(naphthalen-1-yl)-4-phenyltetrahydro-2H-pyran-4-carboxamide
Smiles: O=C(C1(CCOCC1)c1ccccc1)Nc1cccc2c1cccc2

STK840981
Synonyms: (5Z)-3-(3-hydroxyphenyl)-5-(1H-indol-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Oc1cccc(c1)N1C(=S)S/C(=C\c2c[nH]c3c2cccc3)/C1=O

STK840985
Synonyms: 2-{[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)OC)NC(=O)CC1c1ccccc1C

STK840986
Synonyms: ethyl2-(4-methoxyphenyl)-5-[(pentafluorobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1c(F)c(F)c(c(c1F)F)F)cc2)c1ccc(cc1)OC

STK541668
Synonyms: 2-(ethylsulfanyl)-6-iodo-3-(4-methylphenyl)quinazolin-4(3H)-one
Smiles: CCSc1nc2ccc(cc2c(=O)n1c1ccc(cc1)C)I

STK541670
Synonyms: ethyl3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=S)NC)cccc2

STK840988
Synonyms: 2-{[5-(furan-2-yl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]amino}ethanol
Smiles: OCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK541678
Synonyms: 4-[(6aS,6bR,9aS,10R)-10-(1H-benzotriazol-1-ylcarbonyl)-7,9-dioxo-6b,7,9a,10-tetrahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-8(9H)-yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)n2nnc3c2cccc3)c2ccccc2C=C1

STK840989
Synonyms: N-(1,3-benzodioxol-5-yl)-4-(morpholin-4-ylsulfonyl)benzamide
Smiles: O=C(c1ccc(cc1)S(=O)(=O)N1CCOCC1)Nc1ccc2c(c1)OCO2

STK840990
Synonyms: prop-2-en-1-yl6-({2-[(5-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1cc(Cl)ccc1C

STK541686
Synonyms: methyl6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)NCc1ccccc1

STK541688
Synonyms: 2-(acetylamino)-4,5-dihydronaphtho[1,2-b]thiophene-3-carboxylicacid
Smiles: CC(=O)Nc1sc2c(c1C(=O)O)CCc1c2cccc1

STK541689
Synonyms: 2'-(1,3-benzodioxol-5-yl)-1-propyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc2c(c1)OCO2

STK541690
Synonyms: 8-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
Smiles: Clc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1ccccc1F

STK840994
Synonyms: 2-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]-5-methoxyphenyl2-methylbenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccccc1C)C(=O)/C=C/c1ccc(cc1)F

STK541696
Synonyms: N-{2-[(furan-2-ylmethyl)amino]cyclohexyl}benzenesulfonamide
Smiles: O=S(=O)(c1ccccc1)NC1CCCCC1NCc1ccco1

STK541697
Synonyms: 3-hexyl-5-(morpholin-4-ylmethyl)dihydrofuran-2(3H)-one(non-preferredname)
Smiles: CCCCCCC1CC(OC1=O)CN1CCOCC1

STK840996
Synonyms: 2-({4-[4-(benzyloxy)phenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(4-methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C)NC(=O)CC1c1ccc(cc1)OCc1ccccc1

STK541702
Synonyms: 7-(4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)Nc1cc(ccc1Cl)C(F)(F)F)c(c2)F

STK840997
Synonyms: 2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]acetamide
Smiles: O=C(CSc1nc(N)c2c(n1)sc1c2CCC1)NCCN1CCOCC1

STK541703
Synonyms: [hydroxy(2-phenylethyl)phosphoryl]aceticacid
Smiles: OC(=O)CP(=O)(CCc1ccccc1)O

STK541704
Synonyms: 2-amino-N-(3-fluorophenyl)-1-hexyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCCCn1c2nc3ccccc3nc2c(c1N)C(=O)Nc1cccc(c1)F

STK840998
Synonyms: prop-2-en-1-yl5-cyano-6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1OC)C#N)SCC(=O)Nc1c(C)cccc1C

STK541708
Synonyms: {[5-(1,3-benzodioxol-5-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}aceticacid
Smiles: C=CCn1c(SCC(=O)O)nnc1c1ccc2c(c1)OCO2

STK541712
Synonyms: 2-{[5-(3-chloro-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Smiles: C=CCn1c(SCC(=O)c2ccccc2)nnc1c1sc2c(c1Cl)cccc2

STK541713
Synonyms: methyl4-{2-[(2E)-2-(2-nitrobenzylidene)hydrazinyl]-2-oxoethoxy}benzoate
Smiles: COC(=O)c1ccc(cc1)OCC(=O)N/N=C/c1ccccc1[N+](=O)[O-]

STK841000
Synonyms: N-[2-(cyclohex-1-en-1-yl)ethyl]-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
Smiles: O=c1cc(C)c(c(o1)C)C(=O)NCCC1=CCCCC1

STK841001
Synonyms: methyl5-cyclohexyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: COC(=O)C1=NNC2C1C(=O)N(C2=O)C1CCCCC1

STK541724
Synonyms: 2,2-dimethyl-2'-(thiophen-2-yl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CC1(C)OCCC2(C1)Oc1ccccc1C1N2N=C(C1)c1cccs1

STK541727
Synonyms: 6-{(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl}[1,2,4]triazolo[4,3-b]pyridazine
Smiles: Cc1ccc(cc1)/C(=N\Nc1ccc2n(n1)cnn2)/C

STK541728
Synonyms: 1-(4-{[5-(4-nitrophenyl)furan-2-yl]carbonothioyl}piperazin-1-yl)ethanone
Smiles: CC(=O)N1CCN(CC1)C(=S)c1ccc(o1)c1ccc(cc1)[N+](=O)[O-]

STK541730
Synonyms: 6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Smiles: CC1CCc2c(C1)c1c(O)ncnc1s2

STK541736
Synonyms: 8-chloro-3-cyclohexyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Clc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)C1CCCCC1

STK541741
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-[(E)-(3-hydroxyphenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/c1cccc(c1)O

STK841005
Synonyms: 3-(2-chlorophenyl)-6-ethyl-7-methoxy-4H-chromene-4-thione
Smiles: CCc1cc2c(cc1OC)occ(c2=S)c1ccccc1Cl

STK541745
Synonyms: 2-{[3-(morpholin-4-yl)quinoxalin-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(Nc2nc3ccccc3nc2N2CCOCC2)sc2c1CCCC2

STK541749
Synonyms: 2'-(5-bromothiophen-2-yl)-1-(propan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Brc1ccc(s1)C1=NN2C(C1)c1ccccc1OC12CCN(CC1)C(C)C

STK841006
Synonyms: 2-(4-fluorophenyl)-2-oxoethyl1-[(4-fluorophenyl)sulfonyl]piperidine-4-carboxylate
Smiles: Fc1ccc(cc1)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)F

STK841007
Synonyms: 1-[5-(2-chloro-7-methoxyquinolin-3-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
Smiles: COc1ccc2c(c1)nc(c(c2)C1CC(=NN1C(=O)C)c1ccc(cc1)C)Cl

STK541759
Synonyms: methyl4-[(E)-(2-{[4-(4-chlorobenzyl)piperazin-1-yl]acetyl}hydrazinylidene)methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/NC(=O)CN1CCN(CC1)Cc1ccc(cc1)Cl

STK541763
Synonyms: (4E)-5-(4-tert-butylphenyl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Smiles: Cc1ccc(o1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)Cc1cccnc1)/O

STK841009
Synonyms: 2-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanol
Smiles: OCCN1CCN(CC1)c1nc2ccc(cc2c(n1)c1ccccc1)C

STK841010
Synonyms: N-(1,3-benzodioxol-5-yl)-4-methoxy-3-nitrobenzenesulfonamide
Smiles: COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Nc1ccc2c(c1)OCO2

STK541768
Synonyms: ethyl3-[(cyclopropylcarbonyl)amino]-5-fluoro-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C1CC1)cc(cc2)F

STK541772
Synonyms: 5-(4-ethoxybenzyl)-4,6-di(piperidin-1-yl)pyrimidine
Smiles: CCOc1ccc(cc1)Cc1c(ncnc1N1CCCCC1)N1CCCCC1

STK841015
Synonyms: 4-chloro-2-[(2E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl4-methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)Oc1ccc(cc1C(=O)/C=C/c1ccccc1OC)Cl

STK841016
Synonyms: 8-[(4-benzylpiperidin-1-yl)sulfonyl]quinoline
Smiles: O=S(=O)(c1cccc2c1nccc2)N1CCC(CC1)Cc1ccccc1

STK541784
Synonyms: 2,2'-{methanediylbis[(4-phenyl-4H-1,2,4-triazole-5,3-diyl)sulfanediyl]}bis[1-(4-chlorophenyl)ethanone]
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc(n1c1ccccc1)Cc1nnc(n1c1ccccc1)SCC(=O)c1ccc(cc1)Cl

STK841018
Synonyms: ethyl6-bromo-2-tert-butyl-5-[(2-methylprop-2-en-1-yl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCC(=C)C)c(cc2oc1C(C)(C)C)Br

STK541791
Synonyms: (4E)-5-(2-chlorophenyl)-4-(1-hydroxyethylidene)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Smiles: C/C(=C/1\C(=O)C(=O)N(C1c1ccccc1Cl)Cc1cccnc1)/O

STK541793
Synonyms: 2'-(5-methylfuran-2-yl)-1-propyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(o1)C

STK541798
Synonyms: 9'-bromo-2'-(naphthalen-2-yl)-1-(propan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)C(C)C)c1ccc2c(c1)cccc2

STK841019
Synonyms: (2E)-1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
Smiles: COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1O

STK841021
Synonyms: 3-amino-N-(1,3-benzothiazol-2-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: O=C1CC(C)(C)Cc2c1cc1c(n2)sc(c1N)C(=O)Nc1nc2c(s1)cccc2

STK841025
Synonyms: 2-{[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2CC)NC(=O)CC1c1ccc(cc1)C

STK541810
Synonyms: (2E,3Z)-2-[(4-chlorophenyl)imino]-4-hydroxy-1,4-diphenylbut-3-en-1-one
Smiles: Clc1ccc(cc1)/N=C(/C(=O)c1ccccc1)\C=C(\c1ccccc1)/O

STK541812
Synonyms: 2-amino-N-(4-ethoxyphenyl)-1-(4-fluorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccc(cc1)F

STK541813
Synonyms: {[5-(3-chloro-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}aceticacid
Smiles: C=CCn1c(SCC(=O)O)nnc1c1sc2c(c1Cl)cccc2

STK841029
Synonyms: 2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-5-methoxyphenyl2-methoxybenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccccc1OC)C(=O)/C=C/c1ccc(cc1)Cl

STK541816
Synonyms: 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl4-bromobenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccc(cc1)Br)C(=O)/C=C/c1cccs1

STK841031
Synonyms: N-(2,3-dichlorophenyl)quinoline-8-sulfonamide
Smiles: Clc1cccc(c1Cl)NS(=O)(=O)c1cccc2c1nccc2

STK541817
Synonyms: 2-({3-cyano-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)C)C)NC2=C(C1c1ccc(cc1)C(C)C)C(=O)CCC2

STK841032
Synonyms: 7-(dimethylamino)-4-methoxy-1-methylquinolin-2(1H)-one
Smiles: COc1cc(=O)n(c2c1ccc(c2)N(C)C)C

STK541822
Synonyms: 2'-(3,4-dichlorophenyl)-7'-methoxy-1-(propan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)C(C)C)N1C2CC(=N1)c1ccc(c(c1)Cl)Cl

STK541825
Synonyms: (6aS,6bR,9aS,10R)-10-(1H-benzotriazol-1-ylcarbonyl)-8-(4-methoxyphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)n2nnc3c2cccc3)c2ccccc2C=C1

STK541829
Synonyms: N-{[4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl]methyl}-3,5-dinitrobenzamide
Smiles: COc1cc(ccc1OC)C1(CCOCC1)CNC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK841037
Synonyms: 4-bromo-2-[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenylmorpholine-4-carboxylate
Smiles: Brc1ccc(c(c1)C(=O)/C=C/c1ccc(cc1Cl)Cl)OC(=O)N1CCOCC1

STK541833
Synonyms: 3,6-diamino-5-cyano-N-(4-methoxy-2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(c(c1)C)NC(=O)c1sc2c(c1N)cc(c(n2)N)C#N

STK541834
Synonyms: 4-bromo-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl4-fluorobenzoate
Smiles: Brc1ccc(c(c1)C(=O)/C=C/c1cccs1)OC(=O)c1ccc(cc1)F

STK541836
Synonyms: 5-{4-[(4-fluorophenyl)amino]phthalazin-1-yl}-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
Smiles: Fc1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCc1cccnc1)C

STK841040
Synonyms: 4-[5,7-dibromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one
Smiles: CC(=O)CCc1oc2c(c1c1ccc(o1)C)cc(cc2Br)Br

STK541837
Synonyms: 2,2'-{methanediylbis[(4-phenyl-4H-1,2,4-triazole-5,3-diyl)sulfanediyl]}bis[1-(4-fluorophenyl)ethanone]
Smiles: Fc1ccc(cc1)C(=O)CSc1nnc(n1c1ccccc1)Cc1nnc(n1c1ccccc1)SCC(=O)c1ccc(cc1)F

STK541839
Synonyms: 2'-(1,3-benzodioxol-5-yl)-9'-bromo-1-(propan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)C(C)C)c1ccc2c(c1)OCO2

STK541840
Synonyms: ethyl3-{[(3-chlorophenyl)carbamoyl]amino}-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)Nc1cccc(c1)Cl)cc(cc2)OC

STK541844
Synonyms: 2-[(4-methylquinolin-2-yl)amino]ethanol
Smiles: OCCNc1cc(C)c2c(n1)cccc2

STK541847
Synonyms: 2-methyl-3-(propylamino)cyclopent-2-en-1-one
Smiles: CC1=C(CCC1=O)NCCC

STK841041
Synonyms: 2-(2-{4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: COc1cc(CCn2c(=O)c3cccc4c3c(c2=O)ccc4)c(cc1OC)S(=O)(=O)N1CCC(CC1)C

STK841044
Synonyms: 3,6-diamino-2-(phenylcarbonyl)-4-[4-(propan-2-yl)phenyl]thieno[2,3-b]pyridine-5-carbonitrile
Smiles: N#Cc1c(N)nc2c(c1c1ccc(cc1)C(C)C)c(N)c(s2)C(=O)c1ccccc1

STK541862
Synonyms: 2-{2-[(8-iodo-4-methyl-2-oxo-2H-chromen-7-yl)oxy]ethyl}-1H-isoindole-1,3(2H)-dione
Smiles: O=c1cc(C)c2c(o1)c(I)c(cc2)OCCN1C(=O)c2c(C1=O)cccc2

STK541864
Synonyms: 2-[4-(2-chlorobenzyl)piperazin-1-yl]-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(OC)c(cc1/C=N/NC(=O)CN1CCN(CC1)Cc1ccccc1Cl)OC

STK541865
Synonyms: ethyl5-cyano-4-(2-ethoxyphenyl)-6-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1OCC)C#N)SCC(=O)Nc1cccc(c1)OC

STK541866
Synonyms: 1-benzyl-2'-[4-(difluoromethoxy)phenyl]-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: FC(Oc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC12CCN(CC1)Cc1ccccc1)F

STK541870
Synonyms: (2E,5Z)-5-(2,4-dimethoxybenzylidene)-2-[(4-hydroxyphenyl)imino]-1,3-thiazolidin-4-one
Smiles: COc1cc(OC)ccc1/C=C/1\S/C(=N/c2ccc(cc2)O)/NC1=O

STK841048
Synonyms: 2-methoxyethyl6-bromo-2-methyl-5-[(4-nitrobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1ccc(cc1)[N+](=O)[O-])c(c2)Br

STK541875
Synonyms: methyl6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccccc1F)C#N)SCC(=O)NCc1ccccc1

STK541876
Synonyms: 4-chloro-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl2-bromobenzoate
Smiles: Clc1ccc(c(c1)C(=O)/C=C/c1cccs1)OC(=O)c1ccccc1Br

STK841050
Synonyms: N-benzyl-2-{[3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)CC1c1ccccc1OC

STK841053
Synonyms: 2-tert-butyl-3-(ethoxycarbonyl)-1-benzofuran-5-ylmorpholine-4-carboxylate
Smiles: CCOC(=O)c1c2cc(ccc2oc1C(C)(C)C)OC(=O)N1CCOCC1

STK541880
Synonyms: N-benzyl-2-{[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)CC1c1ccc(cc1)C

STK541885
Synonyms: 4-chloro-6-hydrazinyl-5-[4-(2-methylpropoxy)benzyl]-2-(methylsulfanyl)pyrimidine
Smiles: CSc1nc(Cl)c(c(n1)NN)Cc1ccc(cc1)OCC(C)C

STK841054
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(SCc2ccccc2Cl)NC(=O)CC1c1ccccc1OC

STK541890
Synonyms: 4-(5-chloro-2-methoxybenzyl)morpholine
Smiles: COc1ccc(cc1CN1CCOCC1)Cl

STK541891
Synonyms: 2-{2-[4,5-dimethoxy-2-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}sulfonyl)phenyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: COc1cc(CCn2c(=O)c3cccc4c3c(c2=O)ccc4)c(cc1OC)S(=O)(=O)N1CCN(CC1)C/C=C/c1ccccc1

STK841059
Synonyms: 2-[(3-methylbutyl)sulfanyl]-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(SCCC(C)C)NC(=O)CC1c1ccc(cc1)C

STK541896
Synonyms: 6-(3-fluorophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol
Smiles: Fc1cccc(c1)C1Sc2ccccc2N=C2C1=C(O)c1c2cccc1

STK541898
Synonyms: (3aR,6aS)-3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)F

STK841062
Synonyms: ethyl6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCC(=O)C(C)(C)C)c(c2)Br

STK841067
Synonyms: 1-[5-(2-chloro-6-methoxyquinolin-3-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
Smiles: COc1ccc2c(c1)cc(c(n2)Cl)C1CC(=NN1C(=O)C)c1ccc(cc1)C

STK841068
Synonyms: N-(6-chloropyridin-2-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: Clc1cccc(n1)Nc1ccc2c(c1[N+](=O)[O-])non2

STK541910
Synonyms: (2E)-1-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)prop-2-en-1-one
Smiles: Brc1ccc(cc1)C(=O)/C=C/c1c(C)[nH]c2c1cccc2

STK541912
Synonyms: 3-(2-{[(E)-(4-methoxyphenyl)methylidene]amino}-1,3-thiazol-4-yl)-2H-chromen-2-one
Smiles: COc1ccc(cc1)/C=N/c1scc(n1)c1cc2ccccc2oc1=O

STK541914
Synonyms: (2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4-methylphenyl}prop-2-enoicacid
Smiles: OC(=O)/C=C/c1ccc(c(c1)S(=O)(=O)NCc1ccc2c(c1)OCO2)C

STK541916
Synonyms: 1-ethyl-N'-[(E)-(4-hydroxyphenyl)methylidene]-2-methyl-1H-benzimidazole-5-carbohydrazide
Smiles: CCn1c(C)nc2c1ccc(c2)C(=O)N/N=C/c1ccc(cc1)O

STK541917
Synonyms: 8-chloro-4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-5H-pyrimido[5,4-b]indole
Smiles: Clc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCC2(CC1)OCCO2

STK541918
Synonyms: 2-[4-(4-chlorobenzyl)piperazin-1-yl]-N'-[(1E)-1-(4-nitrophenyl)ethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C(/c1ccc(cc1)[N+](=O)[O-])\C

STK541919
Synonyms: 2'-(2-chlorophenyl)-1-propyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccccc1Cl

STK541921
Synonyms: 2-(3-bromo-4-fluorophenyl)-5-(4-chlorophenyl)-4-phenyl-1H-imidazole
Smiles: Clc1ccc(cc1)c1[nH]c(nc1c1ccccc1)c1ccc(c(c1)Br)F

STK541923
Synonyms: N-benzyl-2-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Smiles: O=C(NCc1ccccc1)CSc1nc(C)nc2c1c1CCCCc1s2

STK841072
Synonyms: 2,2-dimethyl-2H-benzimidazole1,3-dioxide
Smiles: CC1(C)[N+](=c2c(=[N+]1[O-])cccc2)[O-]

STK541924
Synonyms: 2-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]-4-methylphenyl4-methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)Oc1ccc(cc1C(=O)/C=C/c1ccc(cc1)F)C

STK541927
Synonyms: 6-[(2E)-2-(2-ethoxybenzylidene)hydrazinyl][1,2,4]triazolo[4,3-b]pyridazine
Smiles: CCOc1ccccc1/C=N/Nc1ccc2n(n1)cnn2

STK541929
Synonyms: 2-[(3-chloroquinoxalin-2-yl)amino]-4,5-dimethylthiophene-3-carbonitrile
Smiles: N#Cc1c(Nc2nc3ccccc3nc2Cl)sc(c1C)C

STK841074
Synonyms: 4-bromo-2-[(2E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl3-nitrobenzoate
Smiles: COc1ccccc1/C=C/C(=O)c1cc(Br)ccc1OC(=O)c1cccc(c1)[N+](=O)[O-]

STK841075
Synonyms: 4-fluoro-2-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl4-fluorobenzoate
Smiles: Fc1ccc(cc1)/C=C/C(=O)c1cc(F)ccc1OC(=O)c1ccc(cc1)F

STK841076
Synonyms: ethyl2-tert-butyl-5-[(2-chloro-4-fluorobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3ccc(cc3Cl)F)ccc2oc1C(C)(C)C

STK841077
Synonyms: 1-benzyl-N-(3-fluorophenyl)-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: Fc1cccc(c1)NC(=O)c1c(O)c2CCCCc2n(c1=O)Cc1ccccc1

STK541942
Synonyms: 3-hydroxy-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)O

STK841080
Synonyms: 2-{[3-cyano-4-(4-ethylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C)NC(=O)CC1c1ccc(cc1)CC

STK541947
Synonyms: (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl4-{[(4-butoxyphenyl)acetyl]amino}butanoate
Smiles: CCCCOc1ccc(cc1)CC(=O)NCCCC(=O)OCN1C(=O)c2c(C1=O)cccc2

STK541948
Synonyms: prop-2-en-1-yl5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)OCC)C#N)SCC(=O)Nc1ccccc1C

STK841081
Synonyms: N-(4-chloro-2-fluorophenyl)quinoline-8-sulfonamide
Smiles: Clc1ccc(c(c1)F)NS(=O)(=O)c1cccc2c1nccc2

STK841082
Synonyms: N-(4-bromophenyl)-2-{[3-cyano-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Br)NC2=C(C1c1ccc(cc1)C)C(=O)CCC2

STK841084
Synonyms: (4E)-5-(3,4-dimethoxyphenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1OC)C1/C(=C(/c2ccco2)\O)/C(=O)C(=O)N1c1nnc(s1)C

STK841086
Synonyms: 1-(morpholin-4-yl)-2-(4'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-yl)ethanone
Smiles: O=C(N1CCOCC1)CC1=NC2(CCCC2)Cc2c1cccc2

STK541959
Synonyms: N-[2,2,2-trichloro-1-(formylamino)ethyl]azepane-1-carbothioamide
Smiles: O=CNC(C(Cl)(Cl)Cl)NC(=S)N1CCCCCC1

STK541961
Synonyms: 3-butyl-2-ethyl-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Smiles: CCCCn1c(CC)nc2c(c1=O)sc1c2cc2c(n1)CC(OC2)(C)C

STK541963
Synonyms: 2-(methylsulfonyl)-6-nitro-1,3-benzothiazole
Smiles: [O-][N+](=O)c1ccc2c(c1)sc(n2)S(=O)(=O)C

STK541964
Synonyms: N'-{(E)-[3-(benzyloxy)phenyl]methylidene}-2-(4-benzylpiperazin-1-yl)acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1)N/N=C/c1cccc(c1)OCc1ccccc1

STK541965
Synonyms: 4-hydroxy-N-(3-hydroxypyridin-2-yl)-2-oxo-1-propyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: CCCn1c2CCCCc2c(c(c1=O)C(=O)Nc1ncccc1O)O

STK841087
Synonyms: ethyl6-bromo-2-tert-butyl-5-[(3-nitrobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3cccc(c3)[N+](=O)[O-])c(cc2oc1C(C)(C)C)Br

STK541966
Synonyms: 2-(hexylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: CCCCCCSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)C

STK541972
Synonyms: 2'-(naphthalen-1-yl)-4-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: c1ccc(cc1)C1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1cccc2c1cccc2

STK541979
Synonyms: [(1R,2S,3R,3aR)-2-(3,4-dimethoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl](phenyl)methanone
Smiles: COc1cc(ccc1OC)[C@@H]1[C@@H]([N+](=O)[O-])[C@@H]2N([C@H]1C(=O)c1ccccc1)c1ccccc1C=C2

STK541984
Synonyms: prop-2-en-1-yl5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)O)C#N)SCC(=O)OC

STK541985
Synonyms: 4-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-2-methoxyphenylacetate
Smiles: COc1cc(/C=N/NC(=O)CSc2nc3c(o2)cccc3)ccc1OC(=O)C

STK541986
Synonyms: 2-({[(2-chlorophenyl)carbonyl]carbamothioyl}amino)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Smiles: CCN1CCc2c(C1)sc(c2C(=O)N)NC(=S)NC(=O)c1ccccc1Cl

STK541988
Synonyms: N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-2-[4-(1H-tetrazol-1-yl)phenoxy]acetohydrazide
Smiles: O=C(COc1ccc(cc1)n1cnnn1)N/N=C/c1cc(Br)ccc1O

STK841095
Synonyms: 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenylthiophene-2-carboxylate
Smiles: COc1ccc(cc1OC)/C=C/C(=O)c1cc(F)ccc1OC(=O)c1cccs1

STK541999
Synonyms: 1-ethyl-6-fluoro-7-[4-(naphthalen-1-ylcarbamoyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=O)Nc1cccc3c1cccc3)c(c2)F

STK841097
Synonyms: 2-[(2E)-3-(2-methoxyphenyl)prop-2-enoyl]-4-methylphenylthiophene-2-carboxylate
Smiles: COc1ccccc1/C=C/C(=O)c1cc(C)ccc1OC(=O)c1cccs1

STK542010
Synonyms: 2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]-N-hexylacetamide
Smiles: CCCCCCNC(=O)C(c1nc2ccccc2nc1N(CC)CC)C#N

STK841101
Synonyms: 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(1,3-thiazol-2-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: CC(Cn1c2CCCCc2c(c(c1=O)C(=O)Nc1nccs1)O)C

STK542017
Synonyms: (4E)-1-(4-fluorophenyl)-4-(1-hydroxyethylidene)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)C1/C(=C(\O)/C)/C(=O)C(=O)N1c1ccc(cc1)F

STK841102
Synonyms: 2,2'-(methanediyldisulfanediyl)bis(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile)
Smiles: N#Cc1cc2C(=O)CC(Cc2nc1SCSc1nc2CC(C)(C)CC(=O)c2cc1C#N)(C)C

STK542020
Synonyms: 2-cyano-N-(2-methoxybenzyl)-2-(3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)acetamide
Smiles: N#CC(c1nc2ccccc2nc1N1CCN(CC1)/C=C/c1ccccc1)C(=O)NCc1ccccc1OC

STK542021
Synonyms: 2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc3c2cccc3)NC(=O)CC1c1ccccc1F

STK542024
Synonyms: 2-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-methylbutanoicacid
Smiles: CC(C(N1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O)C(=O)O)C

STK841104
Synonyms: 5-methoxy-2-[(2E)-3-(4-methylphenyl)prop-2-enoyl]phenyl3-nitrobenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)/C=C/c1ccc(cc1)C

STK841106
Synonyms: 4-bromo-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenylthiophene-2-carboxylate
Smiles: Brc1ccc(c(c1)C(=O)/C=C/c1cccs1)OC(=O)c1cccs1

STK841107
Synonyms: 2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenylfuran-2-carboxylate
Smiles: Fc1ccc(c(c1)C(=O)/C=C/c1ccc(cc1)Cl)OC(=O)c1ccco1

STK542036
Synonyms: 2-(2-{4-[(3,4,5-trimethoxyphenyl)carbonyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: COc1cc(cc(c1OC)OC)C(=O)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK542040
Synonyms: 1-benzyl-9'-bromo-2'-(thiophen-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)Cc1ccccc1)c1cccs1

STK542049
Synonyms: 4-(2,3-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazole
Smiles: COc1ccc(cc1OC)c1[nH]c(c(n1)c1cccc(c1Cl)Cl)c1ccccc1

STK841110
Synonyms: N-(3-fluorophenyl)-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: Fc1cccc(c1)NC(=O)c1c(=O)[nH]c2c(c1O)CCCC2

STK542056
Synonyms: 4-(2,3-dichlorophenyl)-2-(hexylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCCCCCSC1=C(C(C2=C(N1)CCCC2=O)c1cccc(c1Cl)Cl)C#N

STK542057
Synonyms: (2E)-3-(2,4-dichlorophenyl)-1-(furan-2-yl)prop-2-en-1-one
Smiles: Clc1ccc(c(c1)Cl)/C=C/C(=O)c1ccco1

STK542059
Synonyms: N-(2-aminoethyl)-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: NCCNC(=O)c1c(=O)[nH]c2c(c1O)CCCC2

STK542062
Synonyms: methyl3-{[hydrazinyl(oxo)acetyl]amino}-5-methyl-1H-indole-2-carboxylate
Smiles: NNC(=O)C(=O)Nc1c([nH]c2c1cc(C)cc2)C(=O)OC

STK542064
Synonyms: 1-amino-N-(4-methoxyphenyl)-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK542065
Synonyms: ethyl6-bromo-5-[(3-bromobenzyl)oxy]-2-phenyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1cccc(c1)Br)c(c2)Br)c1ccccc1

STK542070
Synonyms: (3aR,4S,9aR,9bS)-4-[(4-bromophenyl)carbonyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: Brc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)C(=O)c1ccccc1

STK542071
Synonyms: (2E)-3-[3-(2,3-dihydro-1H-indol-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoicacid
Smiles: COc1ccc(cc1S(=O)(=O)N1CCc2c1cccc2)/C=C/C(=O)O

STK542073
Synonyms: 2'-(4-fluorophenyl)-2,2-dimethyl-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Fc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC12CCOC(C1)(C)C

STK542074
Synonyms: 2-[1-(prop-2-en-1-ylamino)ethylidene]cyclopentane-1,3-dione
Smiles: C=CCNC(=C1C(=O)CCC1=O)C

STK542078
Synonyms: prop-2-en-1-yl6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)OCC)C#N)SCC(=O)Nc1cccc(c1)Cl

STK542080
Synonyms: 1-(5-methoxy-1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
Smiles: COc1ccc2c(c1)c(c[nH]2)C(=O)CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

STK542081
Synonyms: (4Z)-1-(5-bromopyridin-2-yl)-4-(1-hydroxyethylidene)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)C1/C(=C(/O)\C)/C(=O)C(=O)N1c1ccc(cn1)Br

STK841117
Synonyms: 2-{[3-cyano-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)C)C)NC2=C(C1c1ccc(cc1)C)C(=O)CCC2

STK841118
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
Smiles: COc1cc(CCNC(=O)CSc2nnc(o2)CSc2nc(C)cc(n2)C)ccc1OC

STK542087
Synonyms: N-[1-(1-benzyl-1H-benzimidazol-2-yl)ethyl]furan-2-carboxamide
Smiles: O=C(c1ccco1)NC(c1nc2c(n1Cc1ccccc1)cccc2)C

STK841120
Synonyms: 5-(4-butoxybenzyl)-6-chloro-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine
Smiles: CCCCOc1ccc(cc1)Cc1c(Cl)nc(nc1N(C)C)SC

STK841121
Synonyms: 5-amino-1-cyclopentyl-1H-pyrazol-3-ol
Smiles: Nc1cc(nn1C1CCCC1)O

STK841122
Synonyms: N'-[(1Z)-1-(pyridin-4-yl)ethylidene]pyrazine-2-carbohydrazide
Smiles: O=C(c1cnccn1)N/N=C(\c1ccncc1)/C

STK542098
Synonyms: 1-butyl-2-methyl-1H-indol-5-ol
Smiles: CCCCn1c(C)cc2c1ccc(c2)O

STK542102
Synonyms: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-[(2-chloro-6-fluorobenzyl)oxy]-2H-chromen-2-one
Smiles: Brc1ccc(cc1)c1csc(n1)c1cc2ccc(cc2oc1=O)OCc1c(F)cccc1Cl

STK841128
Synonyms: methyl[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
Smiles: COC(=O)CSc1nnc(o1)CSc1nc(C)cc(n1)C

STK542110
Synonyms: methylN-acetyl-3,3,3-trifluoro-2-[2-(2-methylphenyl)hydrazinyl]alaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)C)NNc1ccccc1C

STK841129
Synonyms: 1-(4-{[5-(3-nitrophenyl)furan-2-yl]carbonothioyl}piperazin-1-yl)ethanone
Smiles: CC(=O)N1CCN(CC1)C(=S)c1ccc(o1)c1cccc(c1)[N+](=O)[O-]

STK542111
Synonyms: 6-[(2E)-2-(4-propoxybenzylidene)hydrazinyl][1,2,4]triazolo[4,3-b]pyridazine
Smiles: CCCOc1ccc(cc1)/C=N/Nc1ccc2n(n1)cnn2

STK542114
Synonyms: 2-[(4-methylphenyl)amino]-3-[(E)-(phenylimino)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: Cc1ccc(cc1)Nc1nc2ccccn2c(=O)c1/C=N/c1ccccc1

STK841130
Synonyms: 2-{[3-cyano-4-(3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)N)NC(=O)CC1c1cccc(c1)OC

STK542125
Synonyms: 2-{[4-amino-6-(propan-2-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-diethylacetamide
Smiles: CCN(C(=O)CSc1nc(N)c2c(n1)sc1c2CC(OC1)C(C)C)CC

STK542132
Synonyms: (3aR,6aS)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C

STK542144
Synonyms: N-{[(4-methoxybut-2-yn-1-yl)oxy]methyl}morpholine-4-carbothioamide
Smiles: COCC#CCOCNC(=S)N1CCOCC1

STK841135
Synonyms: 2-(3,4-dimethoxyphenyl)-5-phenyl-4-(thiophen-2-yl)-1H-imidazole
Smiles: COc1ccc(cc1OC)c1[nH]c(c(n1)c1cccs1)c1ccccc1

STK841136
Synonyms: (2E)-2-(quinolin-2-ylmethylidene)hydrazinecarbothioamide
Smiles: NC(=S)N/N=C/c1ccc2c(n1)cccc2

STK841139
Synonyms: 4-chloro-N-[2-(pyridin-2-ylsulfanyl)cyclohexyl]benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)NC1CCCCC1Sc1ccccn1

STK542150
Synonyms: N-(3-fluorophenyl)-2-oxo-2H-pyran-5-carboxamide
Smiles: Fc1cccc(c1)NC(=O)c1ccc(=O)oc1

STK542152
Synonyms: 7-benzyl-8-[(2-ethoxyethyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOCCSc1nc2c(n1Cc1ccccc1)c(=O)[nH]c(=O)n2C

STK542153
Synonyms: 2'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc2c(c1)OCCO2

STK542156
Synonyms: 2-(2,4-dimethoxy-3-methylphenyl)-5-phenyl-4-(thiophen-2-yl)-1H-imidazole
Smiles: COc1ccc(c(c1C)OC)c1[nH]c(c(n1)c1cccs1)c1ccccc1

STK542157
Synonyms: 2-{[3-(piperidin-1-yl)quinoxalin-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(Nc2nc3ccccc3nc2N2CCCCC2)sc2c1CCCC2

STK542161
Synonyms: 1,4-di(pyridin-2-yl)piperazine
Smiles: c1ccc(nc1)N1CCN(CC1)c1ccccn1

STK542166
Synonyms: methyl4-amino-1-octyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
Smiles: CCCCCCCCn1c2ccccc2c(c(c1=O)C(=O)OC)N

STK841144
Synonyms: 6-methoxy-3-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}-2H-chromen-2-one
Smiles: COc1ccc2c(c1)cc(c(=O)o2)c1csc(n1)Nc1ccc(cc1)C

STK542173
Synonyms: 2-amino-N-cyclopropyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: O=C(c1c(N)n(c2c1nc1ccccc1n2)c1cccc(c1)C(F)(F)F)NC1CC1

STK542178
Synonyms: 6-iodo-3-(2-methoxyphenyl)-2-[(E)-2-(pyridin-3-yl)ethenyl]quinazolin-4(3H)-one
Smiles: COc1ccccc1n1c(/C=C/c2cccnc2)nc2c(c1=O)cc(cc2)I

STK542182
Synonyms: methyl6a-methyl-4,6-dioxo-5-(2,4,6-trimethylphenyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: COC(=O)C1=NNC2(C1C(=O)N(C2=O)c1c(C)cc(cc1C)C)C

STK542188
Synonyms: N'-[(1E,2Z)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]-2-({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccc(cc1)C)N/N=C/C(=C\c1ccco1)/C

STK841148
Synonyms: 1-[(2,4-dimethyl-5-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline
Smiles: Cc1cc(C)c(cc1S(=O)(=O)N1CCCc2c1cccc2)[N+](=O)[O-]

STK542189
Synonyms: methyl4-[(1H-benzotriazol-1-ylmethyl)amino]-1,2,5-oxadiazole-3-carboxylate
Smiles: COC(=O)c1nonc1NCn1nnc2c1cccc2

STK542190
Synonyms: 2'-(naphthalen-2-yl)-1-(propan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CC(N1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc2c(c1)cccc2)C

STK542191
Synonyms: ethyl5-(2-{2-[(2-methylphenyl)carbonyl]hydrazinyl}-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)NNC(=O)c1ccccc1C)cc2)c1ccccc1

STK542193
Synonyms: N-[2-(cyclopropylcarbonyl)-1-benzofuran-3-yl]-2-(4-phenylpiperazin-1-yl)acetamide
Smiles: O=C(Nc1c(oc2c1cccc2)C(=O)C1CC1)CN1CCN(CC1)c1ccccc1

STK841153
Synonyms: ethyl3-hydroxy-5-oxo-2,3,7,8-tetrahydro-5H,6H-cyclopenta[4,5]thieno[2,3-d][1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate
Smiles: CCOC(=O)C1(O)CSc2n1c(=O)c1c(n2)sc2c1CCC2

STK841154
Synonyms: 1-hydroxy-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCCc1cc(O)n2c(c1C#N)nc1c2cccc1

STK542199
Synonyms: 2-{3-[(3aS,6aS)-5-(4-fluorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dione
Smiles: O=C(C1=NN[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)F)CCN1C(=O)c2c(C1=O)cccc2

STK542200
Synonyms: ethyl3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-4-oxo-4H-chromene-2-carboxylate
Smiles: CCOC(=O)c1oc2c(C)c(O)ccc2c(=O)c1c1nc2c(s1)cccc2

STK841156
Synonyms: 2-[(2E)-3-(2-fluorophenyl)prop-2-enoyl]-4-methoxyphenyl4-nitrobenzoate
Smiles: COc1ccc(c(c1)C(=O)/C=C/c1ccccc1F)OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK542206
Synonyms: N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine
Smiles: Clc1ccc2c(c1)C=Nc1c(O2)ncnc1NCc1ccccc1

STK542208
Synonyms: ethyl5-bromo-3-{[3-(thiomorpholin-4-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCSCC1)cc(cc2)Br

STK841158
Synonyms: 4-chloro-2-[(2E)-3-(2-methoxyphenyl)prop-2-enoyl]phenylthiophene-2-carboxylate
Smiles: COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1OC(=O)c1cccs1

STK542214
Synonyms: N-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-hydroxybenzamide
Smiles: Fc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)O

STK542215
Synonyms: (2E)-3-[3-(1,3-benzodioxol-5-ylsulfamoyl)-4-methylphenyl]prop-2-enoicacid
Smiles: OC(=O)/C=C/c1ccc(c(c1)S(=O)(=O)Nc1ccc2c(c1)OCO2)C

STK542216
Synonyms: 2,6-bis(4-chlorophenyl)-3-methyl-4-propylpiperidin-4-ol
Smiles: CCCC1(O)CC(NC(C1C)c1ccc(cc1)Cl)c1ccc(cc1)Cl

STK841161
Synonyms: ethyl1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCOC(=O)c1c(O)c2CCCCc2n(c1=O)Cc1ccco1

STK542222
Synonyms: 3-(diethylamino)-2,2-dimethylpropyl5-methyl-1-benzofuran-2-carboxylate
Smiles: CCN(CC(COC(=O)c1cc2c(o1)ccc(c2)C)(C)C)CC

STK841164
Synonyms: 2-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]-4-methylphenyl3-methoxybenzoate
Smiles: COc1cccc(c1)C(=O)Oc1ccc(cc1C(=O)/C=C/c1ccc(cc1)F)C

STK542229
Synonyms: 5-(4-chlorophenyl)-1,1-diphenyl-5-azaspiro[2.4]heptane-4,6-dione
Smiles: Clc1ccc(cc1)N1C(=O)CC2(C1=O)CC2(c1ccccc1)c1ccccc1

STK841169
Synonyms: methyl4-({[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Smiles: COc1cccc(c1)c1nnc(n1c1ccccc1)SCc1ccc(cc1)C(=O)OC

STK841170
Synonyms: 2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2CC)NC(=O)CC1c1cccc(c1)Br

STK841171
Synonyms: ethyl({3-cyano-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetate
Smiles: CCOC(=O)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)C(C)C

STK542237
Synonyms: [(5Z)-5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl](phenyl)aceticacid
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)C(=O)O

STK542239
Synonyms: 6-chloro-N,2-dimethyl-N-(naphthalen-1-ylmethyl)-5-nitropyrimidin-4-amine
Smiles: Cc1nc(N(Cc2cccc3c2cccc3)C)c(c(n1)Cl)[N+](=O)[O-]

STK542240
Synonyms: 4-(morpholin-4-yl)-N-(naphthalen-1-yl)quinazolin-2-amine
Smiles: O1CCN(CC1)c1nc(nc2c1cccc2)Nc1cccc2c1cccc2

STK841173
Synonyms: 2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)CC1c1ccccc1F

STK542245
Synonyms: (2Z)-2-cyano-2-(3,4-diphenyl-1,3-thiazol-2(3H)-ylidene)ethanamide
Smiles: N#C/C(=c\1/scc(n1c1ccccc1)c1ccccc1)/C(=O)N

STK542246
Synonyms: ethyl5-methoxy-3-{[(2-methoxyphenyl)carbamoyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)Nc1ccccc1OC)cc(cc2)OC

STK841176
Synonyms: (5-ethylthieno[2,3-b]thiophen-2-yl)(4-phenylpiperazin-1-yl)methanone
Smiles: CCc1cc2c(s1)sc(c2)C(=O)N1CCN(CC1)c1ccccc1

STK841178
Synonyms: N-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)NN1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O

STK841179
Synonyms: (2E)-3-(2,4-dichlorophenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
Smiles: COc1ccc(c(c1)O)C(=O)/C=C/c1ccc(cc1Cl)Cl

STK542255
Synonyms: ethyl5-fluoro-3-{[(2-methoxyphenyl)carbamoyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)Nc1ccccc1OC)cc(cc2)F

STK542256
Synonyms: 4-(2,3-dichlorophenyl)-2-(4-fluorophenyl)-5-phenyl-1H-imidazole
Smiles: Fc1ccc(cc1)c1[nH]c(c(n1)c1cccc(c1Cl)Cl)c1ccccc1

STK841180
Synonyms: 3-[(4-methoxy-3-nitrobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-amine
Smiles: COc1ccc(cc1[N+](=O)[O-])CSc1nnc(n1N)C

STK542257
Synonyms: (2E)-1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one
Smiles: Fc1ccc(cc1)/C=C/C(=O)n1nc(cc1C)C

STK542259
Synonyms: 2-(hexylsulfanyl)-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCCCCCSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)C(C)C

STK841181
Synonyms: bis(2-methylpropyl)[(2,4-dimethoxyphenyl)(hydroxy)methyl]phosphonate
Smiles: COc1cc(OC)ccc1C(P(=O)(OCC(C)C)OCC(C)C)O

STK542263
Synonyms: N'-{(E)-[4-(benzyloxy)phenyl]methylidene}-2-(4-benzylpiperazin-1-yl)acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1)N/N=C/c1ccc(cc1)OCc1ccccc1

STK841186
Synonyms: 2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone
Smiles: Brc1ccc(cc1)CC(=O)c1ccc(cc1O)O

STK542268
Synonyms: 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-N-phenylpyridine-3-carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2ccccc2C)nc(c(c1c1ccc(c(c1)OC)OC)C(=O)Nc1ccccc1)C

STK542269
Synonyms: 3-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoicacid
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCC(=O)O

STK841188
Synonyms: 4-chloro-2-[(2E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl3-nitrobenzoate
Smiles: COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1OC(=O)c1cccc(c1)[N+](=O)[O-]

STK841191
Synonyms: 3-{[4-(diphenylmethoxy)but-2-yn-1-yl](dimethyl)ammonio}propane-1-sulfonate
Smiles: [O-]S(=O)(=O)CCC[N+](CC#CCOC(c1ccccc1)c1ccccc1)(C)C

STK542280
Synonyms: N'-[(1Z)-1-(furan-2-yl)ethylidene]pyrazine-2-carbohydrazide
Smiles: O=C(c1cnccn1)N/N=C(\c1ccco1)/C

STK542281
Synonyms: 8-ethyl-5-oxo-2-[4-(phenylcarbamothioyl)piperazin-1-yl]-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)Nc1ccccc1

STK542282
Synonyms: 3-(diethylamino)-2,2-dimethylpropyl3-methyl-1-benzofuran-2-carboxylate
Smiles: CCN(CC(COC(=O)c1oc2c(c1C)cccc2)(C)C)CC

STK542284
Synonyms: (2E)-3-(3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-methylphenyl)prop-2-enoicacid
Smiles: COc1ccc(cc1OC)CCNS(=O)(=O)c1cc(/C=C/C(=O)O)ccc1C

STK542285
Synonyms: 3-(4-bromophenyl)-5-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazole
Smiles: COc1ccc(cc1)C1CC(=NN1S(=O)(=O)C)c1ccc(cc1)Br

STK841194
Synonyms: propan-2-yl2-methyl-5-{[(pentafluorophenoxy)acetyl]oxy}-1-benzofuran-3-carboxylate
Smiles: O=C(Oc1ccc2c(c1)c(C(=O)OC(C)C)c(o2)C)COc1c(F)c(F)c(c(c1F)F)F

STK542288
Synonyms: 4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile
Smiles: N#Cc1c(ccnc1N(C)C)N(Cc1ccccc1)Cc1ccccc1

STK841197
Synonyms: N'-[(1Z)-1-(pyridin-3-yl)ethylidene]pyrazine-2-carbohydrazide
Smiles: O=C(c1cnccn1)N/N=C(\c1cccnc1)/C

STK542291
Synonyms: methyl2-(acetylamino)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1sc(c(c1C#N)CC)C)NC(=O)C

STK841199
Synonyms: 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl2-methoxybenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccccc1OC)C(=O)/C=C/c1cccs1

STK542292
Synonyms: 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(1Z)-1-(thiophen-2-yl)ethylidene]acetohydrazide
Smiles: O=C(N/N=C(\c1cccs1)/C)CSc1nc2c(o1)cccc2

STK542294
Synonyms: 4-(2,3-dichlorophenyl)-2-(2-fluorophenyl)-5-phenyl-1H-imidazole
Smiles: Clc1cccc(c1Cl)c1nc([nH]c1c1ccccc1)c1ccccc1F

STK542296
Synonyms: 6-iodo-3-(4-methylphenyl)-2-[(E)-2-(pyridin-3-yl)ethenyl]quinazolin-4(3H)-one
Smiles: Cc1ccc(cc1)n1c(/C=C/c2cccnc2)nc2c(c1=O)cc(cc2)I